1-Benzyl-3,3-dimethylpiperidin-4-one

C₁₄H₁₉NOCAS 173186-91-9217.31 g/mol

Open in Covalent MOL file

Ketone Tertiary amine

Properties

Molecular formula: C₁₄H₁₉NO
Molar mass: 217.31 g/mol
Exact mass: 217.1467 Da
logP: 2.49Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

173186-91-9

SMILES

CC1(C)CN(Cc2ccccc2)CCC1=O

InChIKey

YKQMBPQMCWGNDY-UHFFFAOYSA-N

InChI

InChI=1S/C14H19NO/c1-14(2)11-15(9-8-13(14)16)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3

Weigh it out

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

Names and synonyms

5 names

4-Piperidinone, 3,3-dimethyl-1-(phenylmethyl)-
3,3-Dimethyl-1-(phenylmethyl)-4-piperidinone
1-Benzyl-3,3-dimethyl-4-piperidone
1-Benzyl-3,3-dimethyl-4-oxopiperidine
N-Benzyl-3,3-dimethyl-4-piperidone

Work with 1-Benzyl-3,3-dimethylpiperidin-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

1-Benzyl-4-piperidone3612-20-253 % similar 1-(Phenylmethyl)-3-pyrrolidinone775-16-651 % similar 1-Benzyl-hexahydro-4H-azepin-4-one1208-75-948 % similar 1-Benzyl-3-methylpiperidin-4-one34737-89-847 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-543 % similar Methyl 1-benzylpiperidine-4-carboxylate10315-06-743 % similar 1-Benzyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester1048976-83-542 % similar N-Phenethyl-4-piperidinone39742-60-441 % similar

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

Same formula

3-Methyl-1-(2-phenylethyl)piperidin-4-one129164-39-2 Ethoxyquin91-53-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook