(3S)-3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol

C19H20FNO — CID 10661725

IUPAC(3S)-3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol
SMILESO[C@@]1(c2ccc(-c3ccc(F)cc3)cc2)CN2CCC1CC2
InChIInChI=1S/C19H20FNO/c20-18-7-3-15(4-8-18)14-1-5-16(6-2-14)19(22)13-21-11-9-17(19)10-12-21/h1-8,17,22H,9-13H2/t19-/m1/s1
InChIKeyDBWUTEAWLNNNJV-LJQANCHMSA-N
MW297.37 g/mol
LogP3.41
Rot. Bonds2

About (3S)-3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol

(3S)-3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 10661725) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is (3S)-3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name(3S)-3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID10661725
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name(3S)-3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol
SMILESO[C@@]1(c2ccc(-c3ccc(F)cc3)cc2)CN2CCC1CC2
InChIInChI=1S/C19H20FNO/c20-18-7-3-15(4-8-18)14-1-5-16(6-2-14)19(22)13-21-11-9-17(19)10-12-21/h1-8,17,22H,9-13H2/t19-/m1/s1
InChIKeyDBWUTEAWLNNNJV-LJQANCHMSA-N
XLogP3.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenidol
CID 3055
1-Azabicyclo(2.2.2)octane-3-methanol, alpha,alpha-diphenyl-, hydrochloride (1:1)
CID 115027
Quifenadine
CID 65600
Sequifenadine
CID 42553
[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-phenylmethanol
CID 44363475
3-(Biphenyl-4-yl)-3-hydroxyquinuclidine
CID 9817140
(R)-1,1-bis(3-fluorophenyl)-3-(3-methoxyquinuclidin-3-yl)prop-2-yn-1-ol
CID 10199963
(1R)-1-cyclohexyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol
CID 10269503
(R)-3-(3-methoxyquinuclidin-3-yl)-1,1-diphenylprop-2-yn-1-ol
CID 10291366
1-cyclohexyl-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenylprop-2-yn-1-ol
CID 44406573
3-Quinuclidinol, 2-methylene-3-(3,4-xylyl)-, hydrochloride
CID 3067902
2-Quinuclidinemethanol, alpha,alpha-diphenyl-
CID 3045613

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of (3S)-3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol (CID 10661725) is (3S)-3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for (3S)-3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for (3S)-3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol is O[C@@]1(c2ccc(-c3ccc(F)cc3)cc2)CN2CCC1CC2.
What is the InChIKey of (3S)-3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is DBWUTEAWLNNNJV-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20FNO/c20-18-7-3-15(4-8-18)14-1-5-16(6-2-14)19(22)13-21-11-9-17(19)10-12-21/h1-8,17,22H,9-13H2/t19-/m1/s1.
What are the key properties of (3S)-3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol?
(3S)-3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 297.37 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 10661725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).