Phenyl(piperidin-4-yl)methanone

HCID 226102CAS 37586-22-4

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Basic information

Standard SMILES: O=C(c1ccccc1)C1CCNCC1
InChIKey: DDRCHUGHUHZNKZ-UHFFFAOYSA-N
Molecular formula: C12H15NO
Average molar mass: 189.25 g/mol
Monoisotopic mass: 189.1153641

Names & identifiers

Preferred name: Phenyl(piperidin-4-yl)methanone
IUPAC: phenyl(piperidin-4-yl)methanone
English name: 4-BENZOYLPIPERIDINE HYDROCHLORIDE
Molecular formula: C12H15NO
Molecular weight: 189.25

Names & synonyms

phenyl(piperidin-4-yl)methanone37586-22-44-benzoylpiperidineMFCD00835808phenyl(4-piperidinyl)methanoneCHEMBL344115Methanone, phenyl-4-piperidinyl-Methanone, phenyl-4-piperidinyl-, hydrochloridePhenyl-piperidin-4-yl-methanone4benzoylpiperidineNSC161994-benzoyl-piperidine

Show more names

NSC 16199TIMTEC-BB SBB0033194-O-BenzoylpiperidinePhenyl(piperidin-4-yl)4-BENZOYL PIPERIDINE HCL4-PiperidinophenylketonePhenyl 4-piperidinyl ketoneUmecium bromide impurity 14

4-(benzoyl)piperidineMaybridge1_007798phenyl(4-piperidyl)methanoneOprea1_599178SCHEMBL408318SCHEMBL654047phenyl (4-piperidinyl)methanoneSCHEMBL11716695

Database identifiers

CAS: 37586-22-4
PubChem CID: 226102
DTXSID: DTXSID30280277
ChEMBL: CHEMBL344115
Nikkaji: J528.609C

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 190

Physicochemical properties

Melting point: 226 °C · 226 °C
Boiling point: 221 · 221-224°C
Density: 1.054 · 1.054±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 9.81 · 9.81±0.10(Predicted)
InChI: InChI=1S/C12H15NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-5,11,13H,6-9H2
InChIKey: DDRCHUGHUHZNKZ-UHFFFAOYSA-N
SMILES: C(C1=CC=CC=C1)(C1CCNCC1)=O
CAS DataBase Reference: 37586 · 37586-22-4
Hazard Codes: T
Risk Statements: 25 · 25
Safety Statements: 45 · 45
HazardClass: IRRITANT