3-[(4-fluorophenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol

C20H23FN2O — CID 110216375

IUPAC3-[(4-fluorophenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESOC1(c2cccnc2)C2CCCC1CN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C20H23FN2O/c21-19-8-6-15(7-9-19)12-23-13-17-3-1-4-18(14-23)20(17,24)16-5-2-10-22-11-16/h2,5-11,17-18,24H,1,3-4,12-14H2
InChIKeyLBYKRZHCMRWGKK-UHFFFAOYSA-N
MW326.41 g/mol
LogP3.34
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol

3-[(4-fluorophenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 110216375) has the molecular formula C20H23FN2O and a molecular weight of 326.41 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol
PubChem CID110216375
Molecular FormulaC20H23FN2O
Molecular Weight326.41 g/mol
Exact Mass326.18
IUPAC Name3-[(4-fluorophenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESOC1(c2cccnc2)C2CCCC1CN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C20H23FN2O/c21-19-8-6-15(7-9-19)12-23-13-17-3-1-4-18(14-23)20(17,24)16-5-2-10-22-11-16/h2,5-11,17-18,24H,1,3-4,12-14H2
InChIKeyLBYKRZHCMRWGKK-UHFFFAOYSA-N
XLogP3.34
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5S)-3-[(3-methoxyphenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98063834
(1R,5R)-9-pyridin-3-yl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-3-azabicyclo[3.3.1]nonan-9-ol
CID 98063916
(1S,5S)-3-[(4-methoxy-2,3-dimethylphenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98063879
8-(3-aminophenyl)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-ol
CID 69430584
3-[(5-tert-butyl-2-methoxyphenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 110216393
(1S,5S)-3-[(2-ethyl-1-benzofuran-3-yl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98063901
(1R,5R)-3-[(3,4-difluorophenyl)methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98063962
(3aR,6aS)-2-[(4-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;tris(2,2,2-trifluoroacetic acid)
CID 155824655
1-[(1S,5R)-3-[(4-fluorophenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone
CID 72882321
8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol
CID 69431075
3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol
CID 47003608
3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 118759898

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol (CID 110216375) is 3-[(4-fluorophenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol is OC1(c2cccnc2)C2CCCC1CN(Cc1ccc(F)cc1)C2.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is LBYKRZHCMRWGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c21-19-8-6-15(7-9-19)12-23-13-17-3-1-4-18(14-23)20(17,24)16-5-2-10-22-11-16/h2,5-11,17-18,24H,1,3-4,12-14H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol?
3-[(4-fluorophenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 326.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 110216375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).