3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol

C15H20FNO2 — CID 171961519

IUPAC3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOc1cc(F)ccc1C1(O)CC2CCCC(C1)N2
InChIInChI=1S/C15H20FNO2/c1-19-14-7-10(16)5-6-13(14)15(18)8-11-3-2-4-12(9-15)17-11/h5-7,11-12,17-18H,2-4,8-9H2,1H3
InChIKeyHGBONNFVVSCBRS-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.33
Rot. Bonds2

About 3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171961519) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171961519
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOc1cc(F)ccc1C1(O)CC2CCCC(C1)N2
InChIInChI=1S/C15H20FNO2/c1-19-14-7-10(16)5-6-13(14)15(18)8-11-3-2-4-12(9-15)17-11/h5-7,11-12,17-18H,2-4,8-9H2,1H3
InChIKeyHGBONNFVVSCBRS-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961618
3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171955105
3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962325
3-(6-methoxy-4-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171960276
3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961833
7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171957442
9H-fluoren-9-ylmethyl 3-(4-fluoro-2-methoxyphenyl)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171961523
7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171959249
4-(3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)-3-(trifluoromethyl)benzonitrile
CID 171956711
4,5-difluoro-2-(3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)benzonitrile
CID 171954047
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
2-[4-fluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)phenyl]acetonitrile
CID 171954137

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171961519) is 3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol is COc1cc(F)ccc1C1(O)CC2CCCC(C1)N2.
What is the InChIKey of 3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is HGBONNFVVSCBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-19-14-7-10(16)5-6-13(14)15(18)8-11-3-2-4-12(9-15)17-11/h5-7,11-12,17-18H,2-4,8-9H2,1H3.
What are the key properties of 3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 265.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171961519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).