chempirical

1-Benzyl-4-piperidone

C12H15NOCAS 3612-20-2189.26 g/mol

Open in Covalent MOL file
ON
KetoneTertiary amine

Properties

Molecular formula
C12H15NO
Molar mass
189.26 g/mol
Exact mass
189.1154 Da
Density
1.0626 g/mL (at 23 °C)
Boiling point
114–116 °C (at 0.3 Torr)
logP
1.85Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
3612-20-2
SMILES
O=C1CCN(Cc2ccccc2)CC1
InChIKey
SJZKULRDWHPHGG-UHFFFAOYSA-N
InChI
InChI=1S/C12H15NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2

Weigh it out

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

Names and synonyms

16 names · show all
  • 4-Piperidinone, 1-(phenylmethyl)-
  • 4-Piperidone, 1-benzyl-
  • 1-(Phenylmethyl)-4-piperidinone
  • N-Benzylpiperidinone
  • 1-Benzyl-4-oxopiperidine
  • 1-Benzyl-4-piperidinone
  • N-Benzyl-4-piperidone
  • 1-Benzylpiperidone
  • N-Benzyl-4-piperidinone
  • N-Benzylpiperidone
  • N-Benzyl-4-oxopiperidine
  • 1-(Phenylmethyl)-4-piperidone
  • NSC 77933
  • 1-Benzylpiperidine-4-one
  • 4-N-Benzylpiperidone
  • 1-Benzylpiperidin-4-one

Work with 1-Benzyl-4-piperidone

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Benzyl-hexahydro-4H-azepin-4-one1208-75-986 % similar 1-(Phenylmethyl)-3-pyrrolidinone775-16-682 % similar N-Phenethyl-4-piperidinone39742-60-472 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-562 % similar 1-Benzyl-3-piperidone hydrochloride50606-58-160 % similar 1-Benzylpiperidine2905-56-855 % similar 1-Benzoyl-4-piperidone24686-78-055 % similar Tribenzylamine620-40-654 % similar

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

Same formula

4-(Piperidin-1-yl)benzaldehyde10338-57-5 8-Hydroxyjulolidine41175-50-2 7-Ethyl-1H-indole-3-ethanol41340-36-7 Benzoylpiperidine776-75-0

Elsewhere

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