tert-butyl 4-methyl-4-[(3S)-3-phenylpiperazin-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-methyl-4-[(3S)-3-phenylpiperazin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-methyl-4-[(3S)-3-phenylpiperazin-1-yl]piperidine-1-carboxylate CAS Name: 4-methyl-4-[(3S)-3-phenyl-1-piperazinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-4-[(3S)-3-phenylpiperazin-1-yl]piperidine-1-carboxylate Traditional Name: 4-methyl-4-[(3S)-3-phenylpiperazino]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H33N3O2 MolecularWeight: 359.50562

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C(=O)OC(C)(C)C)N2CCNC(C2)C3=CC=CC=C3

Isomeric SMILES

CC1(CCN(CC1)C(=O)OC(C)(C)C)N2CCN[C@H](C2)C3=CC=CC=C3

InChI

InChI=1S/C21H33N3O2/c1-20(2,3)26-19(25)23-13-10-21(4,11-14-23)24-15-12-22-18(16-24)17-8-6-5-7-9-17/h5-9,18,22H,10-16H2,1-4H3/t18-/m1/s1