Benzoylpiperidine

HCID 69892

Notes Reactions

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Basic information

CAS: 776-75-0
Standard SMILES: O=C(c1ccccc1)N1CCCCC1
InChIKey: YXTROGRGRSPWKL-UHFFFAOYSA-N
Molecular formula: C12H15NO
Average molar mass: 189.25 g/mol
Monoisotopic mass: 189.1153641

Overview

1-benzoylpiperidine is a member of benzamides and a N-acylpiperidine.

Names & identifiers

Preferred name: Benzoylpiperidine
IUPAC: phenyl(piperidin-1-yl)methanone
English name: 1-BENZOYLPIPERIDINE
Molecular formula: C12H15NO
Molecular weight: 189.25

Names & synonyms

1-Benzoylpiperidine776-75-0N-BenzoylpiperidineBenzoylpiperidineProtectine IPiperidine, 1-benzoyl-alpha-RepellinBenzoic acid N-piperidideBenzoic acid, piperidideR 162P 162B678L9IQ0Y

Show more names

1-benzoyl-piperidinLG 20104N-Benzoylpiperidin1-BENZOYLPIPERDINE

DTXSID80228265NSC-1992NSC-26344P-162R-162RefChem:162920DTXCID00150756212-280-3

Database identifiers

CAS: 776-75-0
PubChem CID: 69892
DTXSID: DTXSID80228265
ChEMBL: CHEMBL1897277
ChEBI: CHEBI:188827
UNII: B678L9IQ0Y
EC Number: 212-280-3
Nikkaji: J9.677F

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 190

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

LogP2.2

Physicochemical properties

Melting point: 48 · 48-50°C
Boiling point: 180 · 180-184°C 20mm
Density: 1.0356 · 1.0356 (rough estimate)
refractive index: 1.54 · 1.5400 (estimate)
Flash point: 180 · 180-184°C/20mm
storage temp.: Store at room temperature
solubility: soluble in Methanol
form: powder to crystal
pka: -1.14 · -1.14±0.20(Predicted)
color: White to Light yellow
λmax: 224 nm · 224nm(lit.)
BRN: 136611 · 136611
CAS DataBase Reference: 776 · 776-75-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 678 L9IQ0Y · B678L9IQ0Y
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety Statements: 22 · 22-24/25
RTECS: 4600000 · TM4600000
HS Code: 2933.39 · 2933.39.9200
Toxicity: 570 mg/kg · LDLo subcutaneous in rabbit: 570mg/kg

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Dam. 1 (100%)

Safety data

rtecs: TM4600000
hs_code: 2933.39.9200
Toxicity: LDLo subcutaneous in rabbit: 570mg/kg
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313