(2R,4S)-2-(4-fluoranyl-2-methyl-phenyl)-4-piperazin-1-yl-piperidine-1-carboxylic acid

Systemtic Name: (2R,4S)-2-(4-fluoranyl-2-methyl-phenyl)-4-piperazin-1-yl-piperidine-1-carboxylic acid Openeye Name: (2R,4S)-2-(4-fluoro-2-methyl-phenyl)-4-piperazin-1-yl-piperidine-1-carboxylic acid CAS Name: (2R,4S)-2-(4-fluoro-2-methylphenyl)-4-(1-piperazinyl)-1-piperidinecarboxylic acid IUPAC Name: (2R,4S)-2-(4-fluoro-2-methylphenyl)-4-piperazin-1-ylpiperidine-1-carboxylic acid Traditional Name: (2R,4S)-2-(4-fluoro-2-methyl-phenyl)-4-piperazino-piperidine-1-carboxylic acid Formula: C17H24FN3O2 MolecularWeight: 321.389763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2CC(CCN2C(=O)O)N3CCNCC3

Isomeric SMILES

CC1=C(C=CC(=C1)F)[C@H]2C[C@H](CCN2C(=O)O)N3CCNCC3

InChI

InChI=1S/C17H24FN3O2/c1-12-10-13(18)2-3-15(12)16-11-14(4-7-21(16)17(22)23)20-8-5-19-6-9-20/h2-3,10,14,16,19H,4-9,11H2,1H3,(H,22,23)/t14-,16+/m0/s1