tert-butyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 2-[[4-[(4-fluorophenyl)methyl]-1-piperidyl]methyl]piperazine-1-carboxylate CAS Name: 2-[[4-[(4-fluorophenyl)methyl]-1-piperidinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxylate Traditional Name: 2-[[4-(4-fluorobenzyl)piperidino]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H34FN3O2 MolecularWeight: 391.522663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNCC1CN2CCC(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNCC1CN2CCC(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H34FN3O2/c1-22(2,3)28-21(27)26-13-10-24-15-20(26)16-25-11-8-18(9-12-25)14-17-4-6-19(23)7-5-17/h4-7,18,20,24H,8-16H2,1-3H3