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

C16H24N2O2 — CID 638702

IUPAC[(1S,3R,9aR)-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-/m1/s1
InChIKeyPLGJKFRJCOWWMU-UMVBOHGHSA-N
MW276.38 g/mol
LogP2.04
Rot. Bonds3

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

[(1S,3R,9aR)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol (PubChem CID 638702) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [(1S,3R,9aR)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol.

Molecular Properties

Compound Name[(1S,3R,9aR)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol
PubChem CID638702
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[(1S,3R,9aR)-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-/m1/s1
InChIKeyPLGJKFRJCOWWMU-UMVBOHGHSA-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 [(1S,3R,9aR)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

(2-Methoxy-5,6,7,8-tetrahydro-quinolin-6-yl)-dipropyl-amine
CID 9992903
[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(2-methoxyquinolin-4-yl)methanol
CID 44522664
4-(6-Methoxy-2-pyridinyl)-2-[(3-methylpiperidin-1-yl)methyl]phenol
CID 135971343
4-(6-Methoxy-2-pyridinyl)-2-[(4-methylpiperidin-1-yl)methyl]phenol
CID 135971361
4-(6-Methoxy-2-pyridinyl)-2-(piperidin-1-ylmethyl)phenol
CID 135971371
2-[[2-Methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl-methylamino]ethanol
CID 166626686
2-[2-[(2-methyl-3-phenylphenyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol
CID 171633424
2-[2-[[2-methyl-3-(2-methylphenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol
CID 171633443
[(3S,5R)-5-(6-methoxypyridin-2-yl)-1-methylpiperidin-3-yl]methanol
CID 638637
(2R,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol
CID 638703
Jussiaeiine D
CID 638704
US10030012, Example 72
CID 78318317

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,9aR)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol?
The IUPAC name of [(1S,3R,9aR)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol (CID 638702) is [(1S,3R,9aR)-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 [(1S,3R,9aR)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol?
The canonical SMILES for [(1S,3R,9aR)-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 [(1S,3R,9aR)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol?
The InChIKey is PLGJKFRJCOWWMU-UMVBOHGHSA-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-/m1/s1.
What are the key properties of [(1S,3R,9aR)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol?
[(1S,3R,9aR)-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 [(1S,3R,9aR)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol is sourced from PubChem (CID 638702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).