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Product No: BL5744

1-(tert-Butoxycarbonyl)-4-piperidylacetic Acid, >97.0%

Name: 1-(tert-Butoxycarbonyl)-4-piperidylacetic Acid
Brand: Chempure

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CAS Number

157688-46-5

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About this item

IUPAC name	2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
canonical smiles	CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)O
inchi	InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
inchi key	ZXFLMSIMHISJFV-UHFFFAOYSA-N
molecular formula	C12H21NO4
synonyms	157688-46-5 1-Boc-4-piperidylacetic acid 1-Boc-piperidin-4-ylacetic acid 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)acetic acid 1-Boc-4-piperidineacetic acid

Computed Properties

Molecular Weight:	243.30 g/mol
XLogP3:	1.4
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	4
Exact Mass:	243.14705815 g/mol
Monoisotopic Mass:	243.14705815 g/mol
Topological Polar Surface Area:	66.8 Å²
Heavy Atom Count:	17
Formal Charge:	0
Complexity:	287
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

N-BOC-piperidine-4-carboxylic acid

1-Tert-butyl 4-methyl piperidine-1,4-dicarboxylate

Tert-butyl 4-(2-hydroxyethyl)piperidine-1-carboxylate

1-Boc-piperidine-3-carboxylic acid

4,8-Dimethylnonanoic acid

1-Boc-3-Methanesulfonyloxyazetidine

(1S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid

5-((tert-Butoxycarbonyl)amino)pentanoic acid

1-Boc-piperidin-4-ylacetic acid

trans-4-Propylcyclohexanecarboxylic Acid

(r)-1-(Tert-butoxycarbonyl)piperidine-3-carboxylic acid

2-Methylpropionic acid, 4-nitrophenyl ester

4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid

(R)-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid

(S)-1-Boc-pyrrolidine-3-carboxylic acid

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
canonical smiles	CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)O
inchi	InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
inchi key	ZXFLMSIMHISJFV-UHFFFAOYSA-N
molecular formula	C12H21NO4
synonyms	157688-46-5 1-Boc-4-piperidylacetic acid 1-Boc-piperidin-4-ylacetic acid 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)acetic acid 1-Boc-4-piperidineacetic acid

Computed Properties

Molecular Weight:	243.30 g/mol
XLogP3:	1.4
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	4
Exact Mass:	243.14705815 g/mol
Monoisotopic Mass:	243.14705815 g/mol
Topological Polar Surface Area:	66.8 Å²
Heavy Atom Count:	17
Formal Charge:	0
Complexity:	287
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

N-BOC-piperidine-4-carboxylic acid

1-Tert-butyl 4-methyl piperidine-1,4-dicarboxylate

Tert-butyl 4-(2-hydroxyethyl)piperidine-1-carboxylate

1-Boc-piperidine-3-carboxylic acid

4,8-Dimethylnonanoic acid

1-Boc-3-Methanesulfonyloxyazetidine

(1S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid

5-((tert-Butoxycarbonyl)amino)pentanoic acid

1-Boc-piperidin-4-ylacetic acid

trans-4-Propylcyclohexanecarboxylic Acid

(r)-1-(Tert-butoxycarbonyl)piperidine-3-carboxylic acid

2-Methylpropionic acid, 4-nitrophenyl ester

4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid

(R)-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid

(S)-1-Boc-pyrrolidine-3-carboxylic acid

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: BL5744

1-(tert-Butoxycarbonyl)-4-piperidylacetic Acid, >97.0%

Product No: BL5744

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: BL5744

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?