1-Benzyl-3-methylpiperidin-4-one

C₁₃H₁₇NOCAS 34737-89-8203.28 g/mol

Open in Covalent MOL file

Ketone Tertiary amine

Properties

Molecular formula: C₁₃H₁₇NO
Molar mass: 203.28 g/mol
Exact mass: 203.1310 Da
Boiling point: 112–117 °C (at 1 Torr)
logP: 2.10Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed75% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

Identifiers

CAS number

34737-89-8

SMILES

CC1CN(Cc2ccccc2)CCC1=O

InChIKey

OVQAJYCAXPHYNV-UHFFFAOYSA-N

InChI

InChI=1S/C13H17NO/c1-11-9-14(8-7-13(11)15)10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3

Weigh it out

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

Names and synonyms

7 names

4-Piperidinone, 3-methyl-1-(phenylmethyl)-
4-Piperidone, 1-benzyl-3-methyl-
3-Methyl-1-(phenylmethyl)-4-piperidinone
1-Benzyl-3-methyl-4-piperidone
N-Benzyl-3-methyl-4-piperidone
1-Benzyl-3-methyl-4-oxopiperidine
N-Benzyl-3-methyl-4-piperidinone

Work with 1-Benzyl-3-methylpiperidin-4-one

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

3-Methyl-1-(2-phenylethyl)piperidin-4-one129164-39-278 % similar Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride3939-01-357 % similar Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride1454-53-154 % similar 1-Benzyl-4-piperidone3612-20-253 % similar 1-(Phenylmethyl)-3-pyrrolidinone775-16-651 % similar Methyl N-benzyl-3-pyrrolidinecarboxylate17012-21-450 % similar 1-Benzyl-3-piperidone40114-49-649 % similar 4-(Phenylmethyl)-2-morpholinecarboxylic acid methyl ester135782-29-548 % 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 N-Phenethyl-4-piperidinone39742-60-4 2,6,7,8-Tetrahydro-1H-indeno[5,4-B]furan-8-ylethylamine448964-37-2 Crotamiton483-63-6

Elsewhere

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