1-Benzyl-hexahydro-4H-azepin-4-one

C₁₃H₁₇NOCAS 1208-75-9203.29 g/mol

Open in Covalent MOL file

Ketone Tertiary amine

Properties

Molecular formula: C₁₃H₁₇NO
Molar mass: 203.29 g/mol
Exact mass: 203.1310 Da
logP: 2.24Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

1208-75-9

SMILES

C1CC(=O)CCN(C1)CC2=CC=CC=C2

InChIKey

RRVIUDRKTCAHQZ-UHFFFAOYSA-N

InChI

InChI=1S/C13H17NO/c15-13-7-4-9-14(10-8-13)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2

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

Work with 1-Benzyl-hexahydro-4H-azepin-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-piperidone3612-20-286 % similar 1-(Phenylmethyl)-3-pyrrolidinone775-16-672 % similar 1-Benzylpiperidine2905-56-858 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-553 % similar 1-Benzyl-2-pyrrolidinone5291-77-051 % similar 1-Benzoyl-4-piperidone24686-78-049 % similar 1-Benzyl-3,3-dimethylpiperidin-4-one173186-91-948 % similar Tribenzylamine620-40-647 % similar

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

Same formula

4′-Piperidinoacetophenone10342-85-5 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 N-Phenethyl-4-piperidinone39742-60-4 Crotamiton483-63-6

Elsewhere

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