9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol

C21H25FN2O — CID 171957974

IUPAC9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1ccc(F)c(C2(O)CC3CCCC(C2)N3Cc2ccccc2)n1
InChIInChI=1S/C21H25FN2O/c1-15-10-11-19(22)20(23-15)21(25)12-17-8-5-9-18(13-21)24(17)14-16-6-3-2-4-7-16/h2-4,6-7,10-11,17-18,25H,5,8-9,12-14H2,1H3
InChIKeyPPBPPFTZCRIWEV-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.93
Rot. Bonds3

About 9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol

9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171957974) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171957974
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1ccc(F)c(C2(O)CC3CCCC(C2)N3Cc2ccccc2)n1
InChIInChI=1S/C21H25FN2O/c1-15-10-11-19(22)20(23-15)21(25)12-17-8-5-9-18(13-21)24(17)14-16-6-3-2-4-7-16/h2-4,6-7,10-11,17-18,25H,5,8-9,12-14H2,1H3
InChIKeyPPBPPFTZCRIWEV-UHFFFAOYSA-N
XLogP3.93
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957894
9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959095
9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171958704
9-benzyl-3-[(2,6-dimethylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962131
9-benzyl-3-[2-methyl-3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964115
9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171957910
9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953205
9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171956245
6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile
CID 171958174
9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957681
8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171961758
9-benzyl-3-[3-(difluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961885

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171957974) is 9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol is Cc1ccc(F)c(C2(O)CC3CCCC(C2)N3Cc2ccccc2)n1.
What is the InChIKey of 9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is PPBPPFTZCRIWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-15-10-11-19(22)20(23-15)21(25)12-17-8-5-9-18(13-21)24(17)14-16-6-3-2-4-7-16/h2-4,6-7,10-11,17-18,25H,5,8-9,12-14H2,1H3.
What are the key properties of 9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol?
9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 340.44 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171957974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).