(4-fluorophenyl)-(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone

C19H19FN2O2 — CID 3230862

IUPAC(4-fluorophenyl)-(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1C2CCC1CC(O)(c1cccnc1)C2
InChIInChI=1S/C19H19FN2O2/c20-15-5-3-13(4-6-15)18(23)22-16-7-8-17(22)11-19(24,10-16)14-2-1-9-21-12-14/h1-6,9,12,16-17,24H,7-8,10-11H2
InChIKeyBNBMCBMQIZEGGO-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.88
Rot. Bonds2

About (4-fluorophenyl)-(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone

(4-fluorophenyl)-(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 3230862) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (4-fluorophenyl)-(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID3230862
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(4-fluorophenyl)-(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1C2CCC1CC(O)(c1cccnc1)C2
InChIInChI=1S/C19H19FN2O2/c20-15-5-3-13(4-6-15)18(23)22-16-7-8-17(22)11-19(24,10-16)14-2-1-9-21-12-14/h1-6,9,12,16-17,24H,7-8,10-11H2
InChIKeyBNBMCBMQIZEGGO-UHFFFAOYSA-N
XLogP2.88
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 3230862) is (4-fluorophenyl)-(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(c1ccc(F)cc1)N1C2CCC1CC(O)(c1cccnc1)C2.
What is the InChIKey of (4-fluorophenyl)-(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is BNBMCBMQIZEGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-15-5-3-13(4-6-15)18(23)22-16-7-8-17(22)11-19(24,10-16)14-2-1-9-21-12-14/h1-6,9,12,16-17,24H,7-8,10-11H2.
What are the key properties of (4-fluorophenyl)-(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(4-fluorophenyl)-(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 326.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 3230862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).