4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol

C22H27NO — CID 70186639

IUPAC4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol
SMILESOCCCC(c1ccccc1)N1CC2CC(c3ccccc3)C2C1
InChIInChI=1S/C22H27NO/c24-13-7-12-22(18-10-5-2-6-11-18)23-15-19-14-20(21(19)16-23)17-8-3-1-4-9-17/h1-6,8-11,19-22,24H,7,12-16H2
InChIKeyCPBGPNOQRMPJHP-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.24
Rot. Bonds6

About 4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol

4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol (PubChem CID 70186639) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol.

Molecular Properties

Compound Name4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol
PubChem CID70186639
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol
SMILESOCCCC(c1ccccc1)N1CC2CC(c3ccccc3)C2C1
InChIInChI=1S/C22H27NO/c24-13-7-12-22(18-10-5-2-6-11-18)23-15-19-14-20(21(19)16-23)17-8-3-1-4-9-17/h1-6,8-11,19-22,24H,7,12-16H2
InChIKeyCPBGPNOQRMPJHP-UHFFFAOYSA-N
XLogP4.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol 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 4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol?
The IUPAC name of 4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol (CID 70186639) is 4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol.
What is the SMILES notation for 4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol?
The canonical SMILES for 4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol is OCCCC(c1ccccc1)N1CC2CC(c3ccccc3)C2C1.
What is the InChIKey of 4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol?
The InChIKey is CPBGPNOQRMPJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c24-13-7-12-22(18-10-5-2-6-11-18)23-15-19-14-20(21(19)16-23)17-8-3-1-4-9-17/h1-6,8-11,19-22,24H,7,12-16H2.
What are the key properties of 4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol?
4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol has a molecular weight of 321.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol is sourced from PubChem (CID 70186639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).