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

C20H23NO — CID 23992385

IUPAC1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol
SMILESOC(c1ccccc1)(c1ccccc1)C12CCN(CC1)CC2
InChIInChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-11-14-21(15-12-19)16-13-19/h1-10,22H,11-16H2
InChIKeyVUUAKOZGGDHCRP-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.41
Rot. Bonds3

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

1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol (PubChem CID 23992385) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol
PubChem CID23992385
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol
SMILESOC(c1ccccc1)(c1ccccc1)C12CCN(CC1)CC2
InChIInChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-11-14-21(15-12-19)16-13-19/h1-10,22H,11-16H2
InChIKeyVUUAKOZGGDHCRP-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
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-4-yl(diphenyl)methanol?
The IUPAC name of 1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol (CID 23992385) is 1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol is OC(c1ccccc1)(c1ccccc1)C12CCN(CC1)CC2.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol?
The InChIKey is VUUAKOZGGDHCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-11-14-21(15-12-19)16-13-19/h1-10,22H,11-16H2.
What are the key properties of 1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol?
1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol has a molecular weight of 293.41 g/mol, XLogP of 3.41, 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-4-yl(diphenyl)methanol is sourced from PubChem (CID 23992385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).