9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol

C21H26N2O2 — CID 171957681

IUPAC9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOc1ccc(C2(O)CC3CCCC(C2)N3Cc2ccccc2)nc1
InChIInChI=1S/C21H26N2O2/c1-25-19-10-11-20(22-14-19)21(24)12-17-8-5-9-18(13-21)23(17)15-16-6-3-2-4-7-16/h2-4,6-7,10-11,14,17-18,24H,5,8-9,12-13,15H2,1H3
InChIKeyLXQDUQKXVVBXKG-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.49
Rot. Bonds4

About 9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol

9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171957681) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171957681
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOc1ccc(C2(O)CC3CCCC(C2)N3Cc2ccccc2)nc1
InChIInChI=1S/C21H26N2O2/c1-25-19-10-11-20(22-14-19)21(24)12-17-8-5-9-18(13-21)23(17)15-16-6-3-2-4-7-16/h2-4,6-7,10-11,14,17-18,24H,5,8-9,12-13,15H2,1H3
InChIKeyLXQDUQKXVVBXKG-UHFFFAOYSA-N
XLogP3.49
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
8-benzyl-3-(5-fluoro-2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171960371
6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile
CID 171958174
9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957410
8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957624
9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171956245
2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile
CID 171953892
3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171957675
9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959095
8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 46966019
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953205

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171957681) is 9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol is COc1ccc(C2(O)CC3CCCC(C2)N3Cc2ccccc2)nc1.
What is the InChIKey of 9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is LXQDUQKXVVBXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-19-10-11-20(22-14-19)21(24)12-17-8-5-9-18(13-21)23(17)15-16-6-3-2-4-7-16/h2-4,6-7,10-11,14,17-18,24H,5,8-9,12-13,15H2,1H3.
What are the key properties of 9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol?
9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 338.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171957681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).