3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol

C15H22N2O2 — CID 171957630

IUPAC3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOc1ncccc1C1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C15H22N2O2/c1-17-11-5-3-6-12(17)10-15(18,9-11)13-7-4-8-16-14(13)19-2/h4,7-8,11-12,18H,3,5-6,9-10H2,1-2H3
InChIKeyOVNXVLIQFZZHRL-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.92
Rot. Bonds2

About 3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol

3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171957630) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171957630
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOc1ncccc1C1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C15H22N2O2/c1-17-11-5-3-6-12(17)10-15(18,9-11)13-7-4-8-16-14(13)19-2/h4,7-8,11-12,18H,3,5-6,9-10H2,1-2H3
InChIKeyOVNXVLIQFZZHRL-UHFFFAOYSA-N
XLogP1.92
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957624
8-methyl-3-quinolin-5-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955990
(5-ethoxyfuran-2-yl)-[(1R,5S)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 95808057
3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959192
3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957753
7-[(1R,5S)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-2-methyl-3H-isoindol-1-one
CID 95808056
(1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 54305859
3-(2-fluoro-6-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961471
[(1R,5R)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 98068165
9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962475
3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961446
[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[(1S,5S)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 98068193

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171957630) is 3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is COc1ncccc1C1(O)CC2CCCC(C1)N2C.
What is the InChIKey of 3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is OVNXVLIQFZZHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17-11-5-3-6-12(17)10-15(18,9-11)13-7-4-8-16-14(13)19-2/h4,7-8,11-12,18H,3,5-6,9-10H2,1-2H3.
What are the key properties of 3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 262.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171957630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).