4-[[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane

C20H23FN2O — CID 66920896

IUPAC4-[[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane
SMILESCc1ccc(-c2ccc(OC3CCN4CCCC3C4)nc2)c(F)c1
InChIInChI=1S/C20H23FN2O/c1-14-4-6-17(18(21)11-14)15-5-7-20(22-12-15)24-19-8-10-23-9-2-3-16(19)13-23/h4-7,11-12,16,19H,2-3,8-10,13H2,1H3
InChIKeyGUTFGLUFWMLVHM-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.06
Rot. Bonds3

About 4-[[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane

4-[[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane (PubChem CID 66920896) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-[[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name4-[[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane
PubChem CID66920896
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name4-[[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane
SMILESCc1ccc(-c2ccc(OC3CCN4CCCC3C4)nc2)c(F)c1
InChIInChI=1S/C20H23FN2O/c1-14-4-6-17(18(21)11-14)15-5-7-20(22-12-15)24-19-8-10-23-9-2-3-16(19)13-23/h4-7,11-12,16,19H,2-3,8-10,13H2,1H3
InChIKeyGUTFGLUFWMLVHM-UHFFFAOYSA-N
XLogP4.06
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane?
The IUPAC name of 4-[[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane (CID 66920896) is 4-[[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 4-[[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane?
The canonical SMILES for 4-[[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane is Cc1ccc(-c2ccc(OC3CCN4CCCC3C4)nc2)c(F)c1.
What is the InChIKey of 4-[[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane?
The InChIKey is GUTFGLUFWMLVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-14-4-6-17(18(21)11-14)15-5-7-20(22-12-15)24-19-8-10-23-9-2-3-16(19)13-23/h4-7,11-12,16,19H,2-3,8-10,13H2,1H3.
What are the key properties of 4-[[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane?
4-[[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane has a molecular weight of 326.42 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 66920896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).