(3R,4R)-1-(1,3-benzodioxol-4-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol

Systemtic Name: (3R,4R)-1-(1,3-benzodioxol-4-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol Openeye Name: (3R,4R)-1-(1,3-benzodioxol-4-ylmethyl)-4-[4-(2-pyridyl)piperazin-1-yl]piperidin-3-ol CAS Name: (3R,4R)-1-(1,3-benzodioxol-4-ylmethyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-3-piperidinol IUPAC Name: (3R,4R)-1-(1,3-benzodioxol-4-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol Traditional Name: (3R,4R)-1-(1,3-benzodioxol-4-ylmethyl)-4-[4-(2-pyridyl)piperazino]piperidin-3-ol Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1N2CCN(CC2)C3=CC=CC=N3)O)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

C1CN(C[C@H]([C@@H]1N2CCN(CC2)C3=CC=CC=N3)O)CC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C22H28N4O3/c27-19-15-24(14-17-4-3-5-20-22(17)29-16-28-20)9-7-18(19)25-10-12-26(13-11-25)21-6-1-2-8-23-21/h1-6,8,18-19,27H,7,9-16H2/t18-,19-/m1/s1