3,3-dimethyl-1-[4-(phenylmethyl)piperidin-1-yl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[4-(phenylmethyl)piperidin-1-yl]butan-2-one Openeye Name: 1-(4-benzyl-1-piperidyl)-3,3-dimethyl-butan-2-one CAS Name: 3,3-dimethyl-1-[4-(phenylmethyl)-1-piperidinyl]-2-butanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-one Traditional Name: 1-(4-benzylpiperidino)-3,3-dimethyl-butan-2-one Formula: C18H27NO MolecularWeight: 273.41308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1CCC(CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)CN1CCC(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H27NO/c1-18(2,3)17(20)14-19-11-9-16(10-12-19)13-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3