2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol

Systemtic Name: 2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol Openeye Name: 2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]methyl]phenol CAS Name: 2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]methyl]phenol IUPAC Name: 2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol Traditional Name: 2-[[3-(4-piperonylpiperazino)piperidino]methyl]phenol Formula: C24H31N3O3 MolecularWeight: 409.52124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=C2O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC=C2O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H31N3O3/c28-22-6-2-1-4-20(22)16-26-9-3-5-21(17-26)27-12-10-25(11-13-27)15-19-7-8-23-24(14-19)30-18-29-23/h1-2,4,6-8,14,21,28H,3,5,9-13,15-18H2