1-azabicyclo[2.2.2]octan-3-yl-(4-phenylphenyl)methanol

C20H23NO — CID 19967098

IUPAC1-azabicyclo[2.2.2]octan-3-yl-(4-phenylphenyl)methanol
SMILESOC(c1ccc(-c2ccccc2)cc1)C1CN2CCC1CC2
InChIInChI=1S/C20H23NO/c22-20(19-14-21-12-10-17(19)11-13-21)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,17,19-20,22H,10-14H2
InChIKeyUOKQVHGNNBRNDM-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.73
Rot. Bonds3

About 1-azabicyclo[2.2.2]octan-3-yl-(4-phenylphenyl)methanol

1-azabicyclo[2.2.2]octan-3-yl-(4-phenylphenyl)methanol (PubChem CID 19967098) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-3-yl-(4-phenylphenyl)methanol.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-3-yl-(4-phenylphenyl)methanol
PubChem CID19967098
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-azabicyclo[2.2.2]octan-3-yl-(4-phenylphenyl)methanol
SMILESOC(c1ccc(-c2ccccc2)cc1)C1CN2CCC1CC2
InChIInChI=1S/C20H23NO/c22-20(19-14-21-12-10-17(19)11-13-21)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,17,19-20,22H,10-14H2
InChIKeyUOKQVHGNNBRNDM-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-3-yl-(4-phenylphenyl)methanol?
The IUPAC name of 1-azabicyclo[2.2.2]octan-3-yl-(4-phenylphenyl)methanol (CID 19967098) is 1-azabicyclo[2.2.2]octan-3-yl-(4-phenylphenyl)methanol.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-3-yl-(4-phenylphenyl)methanol?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-3-yl-(4-phenylphenyl)methanol is OC(c1ccc(-c2ccccc2)cc1)C1CN2CCC1CC2.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-3-yl-(4-phenylphenyl)methanol?
The InChIKey is UOKQVHGNNBRNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c22-20(19-14-21-12-10-17(19)11-13-21)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,17,19-20,22H,10-14H2.
What are the key properties of 1-azabicyclo[2.2.2]octan-3-yl-(4-phenylphenyl)methanol?
1-azabicyclo[2.2.2]octan-3-yl-(4-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 1-azabicyclo[2.2.2]octan-3-yl-(4-phenylphenyl)methanol is sourced from PubChem (CID 19967098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).