2-[(2R,6S)-6-(2-oxo-2-phenylethyl)piperidin-2-yl]-1-phenylethanone

AlkaPlorer ID: AK065709

Synonym: None

IUPAC Name: 2-[(2S,6R)-6-phenacylpiperidin-1-ium-2-yl]-1-phenylethanone

Structure

SMILES: O=C(C[C@H]1CCC[C@@H](CC(=O)C2=CC=CC=C2)[NH2+]1)C1=CC=CC=C1

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InChI: InChI=1S/C21H23NO2/c23-20(16-8-3-1-4-9-16)14-18-12-7-13-19(22-18)15-21(24)17-10-5-2-6-11-17/h1-6,8-11,18-19,22H,7,12-15H2/p+1/t18-,19+

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InChIKey: OMAMGHBETNHQJC-KDURUIRLSA-O

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Properties Information

Molecule Weight: 322.42800000000005

TPSA: 50.75

MolLogP: 3.016900000000001

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information