3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol

C15H22N2O2 — CID 171957753

IUPAC3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOc1ccc(C2(O)CC3CCCC(C2)N3C)cn1
InChIInChI=1S/C15H22N2O2/c1-17-12-4-3-5-13(17)9-15(18,8-12)11-6-7-14(19-2)16-10-11/h6-7,10,12-13,18H,3-5,8-9H2,1-2H3
InChIKeyKAQVZDGAWYRKSR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.92
Rot. Bonds2

About 3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol

3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171957753) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171957753
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOc1ccc(C2(O)CC3CCCC(C2)N3C)cn1
InChIInChI=1S/C15H22N2O2/c1-17-12-4-3-5-13(17)9-15(18,8-12)11-6-7-14(19-2)16-10-11/h6-7,10,12-13,18H,3-5,8-9H2,1-2H3
InChIKeyKAQVZDGAWYRKSR-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

Analyze 3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol with MolForge

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Related Compounds

9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954546
3-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171957748
3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961446
3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957630
9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962081
9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963371
8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954809
9-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954521
tert-butyl 3-hydroxy-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171956589
9H-fluoren-9-ylmethyl 3-(6-ethoxy-3-pyridinyl)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171960305
3-(2-fluoro-6-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961471
3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171957840

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171957753) is 3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is COc1ccc(C2(O)CC3CCCC(C2)N3C)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is KAQVZDGAWYRKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17-12-4-3-5-13(17)9-15(18,8-12)11-6-7-14(19-2)16-10-11/h6-7,10,12-13,18H,3-5,8-9H2,1-2H3.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
3-(6-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-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171957753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).