3-[(3R,4S)-3,4-dimethyl-1-(3-pyridin-4-ylpropyl)piperidin-2-yl]phenol

Systemtic Name: 3-[(3R,4S)-3,4-dimethyl-1-(3-pyridin-4-ylpropyl)piperidin-2-yl]phenol Openeye Name: 3-[(3R,4S)-3,4-dimethyl-1-[3-(4-pyridyl)propyl]-2-piperidyl]phenol CAS Name: 3-[(3R,4S)-3,4-dimethyl-1-(3-pyridin-4-ylpropyl)-2-piperidinyl]phenol IUPAC Name: 3-[(3R,4S)-3,4-dimethyl-1-(3-pyridin-4-ylpropyl)piperidin-2-yl]phenol Traditional Name: 3-[(3R,4S)-3,4-dimethyl-1-[3-(4-pyridyl)propyl]-2-piperidyl]phenol Formula: C21H28N2O MolecularWeight: 324.45982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1C)C2=CC(=CC=C2)O)CCCC3=CC=NC=C3

Isomeric SMILES

C[C@H]1CCN(C([C@@H]1C)C2=CC(=CC=C2)O)CCCC3=CC=NC=C3

InChI

InChI=1S/C21H28N2O/c1-16-10-14-23(13-4-5-18-8-11-22-12-9-18)21(17(16)2)19-6-3-7-20(24)15-19/h3,6-9,11-12,15-17,21,24H,4-5,10,13-14H2,1-2H3/t16-,17+,21?/m0/s1