1-[4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]but-2-yn-1-one

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]but-2-yn-1-one Openeye Name: 1-[4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)-1-piperidyl]but-2-yn-1-one CAS Name: 1-[4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)-1-piperidinyl]-2-butyn-1-one IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]but-2-yn-1-one Traditional Name: 1-[4-(4-chlorobenzyl)-4-methylol-piperidino]but-2-yn-1-one Formula: C17H20ClNO2 MolecularWeight: 305.7992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCC(CC1)(CC2=CC=C(C=C2)Cl)CO

Isomeric SMILES

CC#CC(=O)N1CCC(CC1)(CC2=CC=C(C=C2)Cl)CO

InChI

InChI=1S/C17H20ClNO2/c1-2-3-16(21)19-10-8-17(13-20,9-11-19)12-14-4-6-15(18)7-5-14/h4-7,20H,8-13H2,1H3