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

Systemtic Name: 5-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrimidin-2-amine Openeye Name: 5-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]methyl]pyrimidin-2-amine CAS Name: 5-[[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]methyl]-2-pyrimidinamine IUPAC Name: 5-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrimidin-2-amine Traditional Name: [5-[[3-(4-piperonylpiperazino)piperidino]methyl]pyrimidin-2-yl]amine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CN=C(N=C2)N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)CC2=CN=C(N=C2)N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H30N6O2/c23-22-24-11-18(12-25-22)14-27-5-1-2-19(15-27)28-8-6-26(7-9-28)13-17-3-4-20-21(10-17)30-16-29-20/h3-4,10-12,19H,1-2,5-9,13-16H2,(H2,23,24,25)