1-Benzoylpiperidine-3-carboxylic acid

HCID 3136474

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Basic information

CAS: 13850-76-5
Standard SMILES: O=C(O)C1CCCN(C(=O)c2ccccc2)C1
InChIKey: BVUJBJCCSDLXPU-UHFFFAOYSA-N
Molecular formula: C13H15NO3
Average molar mass: 233.26 g/mol
Monoisotopic mass: 233.10519334

Names & identifiers

Preferred name: 1-Benzoylpiperidine-3-carboxylic acid
IUPAC: 1-benzoylpiperidine-3-carboxylic acid
English name: 1-Benzoyl-3-piperidinecarboxylic acid
Molecular formula: C13H15NO3
Molecular weight: 233.26

Names & synonyms

1-Benzoylpiperidine-3-carboxylic acid13850-76-5DTXSID00389680RefChem:74972DTXCID70340541818-540-8BVUJBJCCSDLXPU-UHFFFAOYSA-N1-benzoyl-3-piperidinecarboxylic acid3-Piperidinecarboxylic acid, 1-benzoyl-MFCD01856779ChemDiv2_000928Oprea1_741423

Show more names

EU-0009698BAS 01947651STOCK1S-478281-(benzoyl)nipecotic acidN-Bz-RS-3-Piperidinecarboxylic acid

Oprea1_855590SCHEMBL1520334SCHEMBL15904094HMS1371K04ALBB-0072591-Benzoylpiperidine-3-carboxylicacidSTK501949AKOS000133360

Database identifiers

CAS: 13850-76-5
PubChem CID: 3136474
DTXSID: DTXSID00389680
EC Number: 818-540-8

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 297

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H302-H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H302-H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501