3-Methyl-1-(2-phenylethyl)piperidin-4-one

C₁₄H₁₉NOCAS 129164-39-2217.31 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: 2.14Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

129164-39-2

SMILES

CC1CN(CCC1=O)CCC2=CC=CC=C2

InChIKey

FYNKVRCSKRJSSF-UHFFFAOYSA-N

InChI

InChI=1S/C14H19NO/c1-12-11-15(10-8-14(12)16)9-7-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3

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Names and synonyms

1 names

3-Methyl-1-(2-phenyl)ethyl-4-piperidinone

Work with 3-Methyl-1-(2-phenylethyl)piperidin-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-3-methylpiperidin-4-one34737-89-878 % similar N-Phenethyl-4-piperidinone39742-60-453 % similar 1,3-Dimethyl-4-piperidone4629-80-546 % similar 1-Benzyl-4-oxo-3-piperidinecarboxylic acid methyl ester monohydrochloride3939-01-345 % similar Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride1454-53-143 % similar 3-Methyl-1-phenyl-2-butanone2893-05-243 % similar 1-Benzyl-4-piperidone3612-20-241 % similar 1-Benzyl-hexahydro-4H-azepin-4-one1208-75-941 % similar

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

Same formula

1-Benzyl-3,3-dimethylpiperidin-4-one173186-91-9 Ethoxyquin91-53-2

Elsewhere

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