9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol

C15H19F3N2O — CID 171954546

IUPAC9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCN1C2CCCC1CC(O)(c1ccc(C(F)(F)F)nc1)C2
InChIInChI=1S/C15H19F3N2O/c1-20-11-3-2-4-12(20)8-14(21,7-11)10-5-6-13(19-9-10)15(16,17)18/h5-6,9,11-12,21H,2-4,7-8H2,1H3
InChIKeyAQDYRUXZURBZLF-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.93
Rot. Bonds1

About 9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol

9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171954546) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171954546
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCN1C2CCCC1CC(O)(c1ccc(C(F)(F)F)nc1)C2
InChIInChI=1S/C15H19F3N2O/c1-20-11-3-2-4-12(20)8-14(21,7-11)10-5-6-13(19-9-10)15(16,17)18/h5-6,9,11-12,21H,2-4,7-8H2,1H3
InChIKeyAQDYRUXZURBZLF-UHFFFAOYSA-N
XLogP2.93
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957753
3-[6-(trifluoromethyl)-3-pyridinyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171954541
9-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954521
9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955706
9-methyl-7-[2-(trifluoromethyl)pyrimidin-5-yl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171954604
9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962081
8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171964029
9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963965
2-fluoro-4-(3-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzonitrile
CID 171960877
3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961446
tert-butyl 3-hydroxy-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171956589
9-methyl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959680

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol (CID 171954546) is 9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol is CN1C2CCCC1CC(O)(c1ccc(C(F)(F)F)nc1)C2.
What is the InChIKey of 9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is AQDYRUXZURBZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-20-11-3-2-4-12(20)8-14(21,7-11)10-5-6-13(19-9-10)15(16,17)18/h5-6,9,11-12,21H,2-4,7-8H2,1H3.
What are the key properties of 9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol?
9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 300.32 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171954546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).