(S)-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-(2-phenylphenyl)methanol

C20H23NO — CID 124632430

IUPAC(S)-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-(2-phenylphenyl)methanol
SMILESO[C@H](c1ccccc1-c1ccccc1)[C@@H]1CN2CCC1CC2
InChIInChI=1S/C20H23NO/c22-20(19-14-21-12-10-16(19)11-13-21)18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-9,16,19-20,22H,10-14H2/t19-,20-/m1/s1
InChIKeyZILBJLNDCOTDIR-WOJBJXKFSA-N
MW293.41 g/mol
LogP3.73
Rot. Bonds3

About (S)-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-(2-phenylphenyl)methanol

(S)-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-(2-phenylphenyl)methanol (PubChem CID 124632430) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (S)-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-(2-phenylphenyl)methanol.

Molecular Properties

Compound Name(S)-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-(2-phenylphenyl)methanol
PubChem CID124632430
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(S)-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-(2-phenylphenyl)methanol
SMILESO[C@H](c1ccccc1-c1ccccc1)[C@@H]1CN2CCC1CC2
InChIInChI=1S/C20H23NO/c22-20(19-14-21-12-10-16(19)11-13-21)18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-9,16,19-20,22H,10-14H2/t19-,20-/m1/s1
InChIKeyZILBJLNDCOTDIR-WOJBJXKFSA-N
XLogP3.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (S)-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-(2-phenylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (S)-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-(2-phenylphenyl)methanol?
The IUPAC name of (S)-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-(2-phenylphenyl)methanol (CID 124632430) is (S)-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-(2-phenylphenyl)methanol.
What is the SMILES notation for (S)-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-(2-phenylphenyl)methanol?
The canonical SMILES for (S)-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-(2-phenylphenyl)methanol is O[C@H](c1ccccc1-c1ccccc1)[C@@H]1CN2CCC1CC2.
What is the InChIKey of (S)-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-(2-phenylphenyl)methanol?
The InChIKey is ZILBJLNDCOTDIR-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H23NO/c22-20(19-14-21-12-10-16(19)11-13-21)18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-9,16,19-20,22H,10-14H2/t19-,20-/m1/s1.
What are the key properties of (S)-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-(2-phenylphenyl)methanol?
(S)-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-(2-phenylphenyl)methanol has a molecular weight of 293.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-(2-phenylphenyl)methanol is sourced from PubChem (CID 124632430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).