chempirical

Benzoylpiperidine

C12H15NOCAS 776-75-0189.26 g/mol

Open in Covalent MOL file
ON
Amide

Properties

Molecular formula
C12H15NO
Molar mass
189.26 g/mol
Exact mass
189.1154 Da
Melting point
49 °C
Boiling point
320.5 °C
logP
2.31Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P354+P338, P317

Identifiers

CAS number
776-75-0
SMILES
O=C(c1ccccc1)N1CCCCC1
InChIKey
YXTROGRGRSPWKL-UHFFFAOYSA-N
InChI
InChI=1S/C12H15NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • Methanone, phenyl-1-piperidinyl-
  • Piperidine, 1-benzoyl-
  • Phenyl-1-piperidinylmethanone
  • R 162
  • N-Benzoylpiperidine
  • Protectine I
  • α-Repellin
  • Benzoic acid, piperidide
  • P 162
  • 1-Benzoylpiperidine
  • Benzoic acid N-piperidide
  • NSC 1992
  • NSC 26344
  • Phenyl(piperidin-1-yl)methanone

Reactions

Work with Benzoylpiperidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Benzoyl-4-piperidone24686-78-067 % similar Benzoylpiperazine hydrochloride56227-55-561 % similar N,N-Diethylbenzamide1696-17-960 % similar 1-(4-Benzoyl-1-piperazinyl)-1-propanone314728-85-359 % similar B-[4-(1-Piperidinylcarbonyl)phenyl]boronic acid389621-83-459 % similar 1-Benzoyl-4-piperidinecarboxylic acid5274-99-756 % similar 1-(Quinoxalin-6-ylcarbonyl)piperidine154235-83-351 % similar N,N-Dimethylbenzamide611-74-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(Piperidin-1-yl)benzaldehyde10338-57-5 1-Benzyl-4-piperidone3612-20-2 8-Hydroxyjulolidine41175-50-2 7-Ethyl-1H-indole-3-ethanol41340-36-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook