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

Systemtic Name: 1-[4-(hydroxymethyl)-4-phenethyl-piperidin-1-yl]but-2-yn-1-one Openeye Name: 1-[4-(hydroxymethyl)-4-phenethyl-1-piperidyl]but-2-yn-1-one CAS Name: 1-[4-(hydroxymethyl)-4-phenethyl-1-piperidinyl]-2-butyn-1-one IUPAC Name: 1-[4-(hydroxymethyl)-4-phenethylpiperidin-1-yl]but-2-yn-1-one Traditional Name: 1-(4-methylol-4-phenethyl-piperidino)but-2-yn-1-one Formula: C18H23NO2 MolecularWeight: 285.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCC(CC1)(CCC2=CC=CC=C2)CO

Isomeric SMILES

CC#CC(=O)N1CCC(CC1)(CCC2=CC=CC=C2)CO

InChI

InChI=1S/C18H23NO2/c1-2-6-17(21)19-13-11-18(15-20,12-14-19)10-9-16-7-4-3-5-8-16/h3-5,7-8,20H,9-15H2,1H3