[(1R,3S,9aS)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol

C16H24N2O2 — CID 22297999

IUPAC[(1R,3S,9aS)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol
SMILESCOc1cccc([C@H]2C[C@@H](CO)[C@@H]3CCCCN3C2)n1
InChIInChI=1S/C16H24N2O2/c1-20-16-7-4-5-14(17-16)12-9-13(11-19)15-6-2-3-8-18(15)10-12/h4-5,7,12-13,15,19H,2-3,6,8-11H2,1H3/t12-,13-,15-/m0/s1
InChIKeyPLGJKFRJCOWWMU-YDHLFZDLSA-N
MW276.38 g/mol
LogP2.04
Rot. Bonds3

About [(1R,3S,9aS)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol

[(1R,3S,9aS)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol (PubChem CID 22297999) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [(1R,3S,9aS)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol.

Molecular Properties

Compound Name[(1R,3S,9aS)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol
PubChem CID22297999
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[(1R,3S,9aS)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol
SMILESCOc1cccc([C@H]2C[C@@H](CO)[C@@H]3CCCCN3C2)n1
InChIInChI=1S/C16H24N2O2/c1-20-16-7-4-5-14(17-16)12-9-13(11-19)15-6-2-3-8-18(15)10-12/h4-5,7,12-13,15,19H,2-3,6,8-11H2,1H3/t12-,13-,15-/m0/s1
InChIKeyPLGJKFRJCOWWMU-YDHLFZDLSA-N
XLogP2.04
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,3S,9aS)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,3S,9aS)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol?
The IUPAC name of [(1R,3S,9aS)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol (CID 22297999) is [(1R,3S,9aS)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol.
What is the SMILES notation for [(1R,3S,9aS)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol?
The canonical SMILES for [(1R,3S,9aS)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol is COc1cccc([C@H]2C[C@@H](CO)[C@@H]3CCCCN3C2)n1.
What is the InChIKey of [(1R,3S,9aS)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol?
The InChIKey is PLGJKFRJCOWWMU-YDHLFZDLSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-16-7-4-5-14(17-16)12-9-13(11-19)15-6-2-3-8-18(15)10-12/h4-5,7,12-13,15,19H,2-3,6,8-11H2,1H3/t12-,13-,15-/m0/s1.
What are the key properties of [(1R,3S,9aS)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol?
[(1R,3S,9aS)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol has a molecular weight of 276.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S,9aS)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol is sourced from PubChem (CID 22297999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).