chempirical

N-Phenethyl-4-piperidinone

C13H17NOCAS 39742-60-4203.28 g/mol

Open in Covalent MOL file
ON
KetoneTertiary amine

Properties

Molecular formula
C13H17NO
Molar mass
203.28 g/mol
Exact mass
203.1310 Da
Melting point
59.5–60.5 °C
Boiling point
117–118 °C (at 0.1 Torr)
logP
1.89Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
39742-60-4
SMILES
O=C1CCN(CCc2ccccc2)CC1
InChIKey
YDJXNYNKKXZBMP-UHFFFAOYSA-N
InChI
InChI=1S/C13H17NO/c15-13-7-10-14(11-8-13)9-6-12-4-2-1-3-5-12/h1-5H,6-11H2

Weigh it out

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

Names and synonyms

14 names · show all
  • 4-Piperidinone, 1-(2-phenylethyl)-
  • 4-Piperidone, 1-phenethyl-
  • 1-(2-Phenylethyl)-4-piperidinone
  • N-Phenethyl-4-piperidone
  • 1-Phenethyl-4-piperidone
  • 1-Phenethyl-4-piperidinone
  • 1-(β-Phenylethyl)-4-piperidone
  • 1-(2-Phenylethyl)-4-piperidone
  • 1-Phenylethyl-4-piperidone
  • N-Phenethylpiperidin-4-one
  • N-(2-Phenylethyl)-4-piperidone
  • 1-(2-Phenethyl)-4-piperidinone
  • NSC 74494
  • 1-(2-Phenethyl)-4-piperidone

Work with N-Phenethyl-4-piperidinone

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-4-piperidone3612-20-272 % similar 1-(Phenylmethyl)-3-pyrrolidinone775-16-665 % similar 1-Benzoyl-4-piperidone24686-78-055 % similar 3-Methyl-1-(2-phenylethyl)piperidin-4-one129164-39-253 % similar 1-(2-Phenylethyl)piperazine5321-49-352 % similar 1-Phenylhexan-3-one29898-25-752 % similar 1-Benzyl-3-piperidone40114-49-651 % similar Benzyl 4-oxo-1-piperidinecarboxylate19099-93-551 % similar

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

Same formula

4'-Piperidinoacetophenone10342-85-5 1-Benzyl-hexahydro-4H-azepin-4-one1208-75-9 4-Benzylaminocyclohexanone142009-99-2 1-(Phenylmethyl)-4-piperidinecarboxaldehyde22065-85-6 2-Isocyanato-1,3-bis(1-methylethyl)benzene28178-42-9 1-Benzyl-3-methylpiperidin-4-one34737-89-8 2,6,7,8-Tetrahydro-1H-indeno[5,4-B]furan-8-ylethylamine448964-37-2 Crotamiton483-63-6

Elsewhere

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