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

C16H22FNO2 — CID 171961446

IUPAC3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOc1cc(C2(O)CC3CCCC(C2)N3C)ccc1F
InChIInChI=1S/C16H22FNO2/c1-18-12-4-3-5-13(18)10-16(19,9-12)11-6-7-14(17)15(8-11)20-2/h6-8,12-13,19H,3-5,9-10H2,1-2H3
InChIKeyQWWDUAAIEVDGCP-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.67
Rot. Bonds2

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

3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171961446) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171961446
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOc1cc(C2(O)CC3CCCC(C2)N3C)ccc1F
InChIInChI=1S/C16H22FNO2/c1-18-12-4-3-5-13(18)10-16(19,9-12)11-6-7-14(17)15(8-11)20-2/h6-8,12-13,19H,3-5,9-10H2,1-2H3
InChIKeyQWWDUAAIEVDGCP-UHFFFAOYSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluoro-3-methoxyphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171961451
tert-butyl 3-(4-fluoro-3-methoxyphenyl)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171961448
3-(2-fluoro-6-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961471
2-fluoro-4-(3-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzonitrile
CID 171960877
7-(3,4-dimethoxyphenyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171955199
3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957753
9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963371
3-(2-fluoro-5-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171961585
3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961618
9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955706
2-[2-fluoro-5-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phenyl]acetonitrile
CID 171954263
9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962081

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171961446) is 3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is COc1cc(C2(O)CC3CCCC(C2)N3C)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is QWWDUAAIEVDGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-18-12-4-3-5-13(18)10-16(19,9-12)11-6-7-14(17)15(8-11)20-2/h6-8,12-13,19H,3-5,9-10H2,1-2H3.
What are the key properties of 3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 279.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171961446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).