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

C22H27NO — CID 22405844

IUPAC1-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol
SMILESOC(CCCN1CC2CC(c3ccccc3)C2C1)c1ccccc1
InChIInChI=1S/C22H27NO/c24-22(18-10-5-2-6-11-18)12-7-13-23-15-19-14-20(21(19)16-23)17-8-3-1-4-9-17/h1-6,8-11,19-22,24H,7,12-16H2
InChIKeyJVUHPDLKMYKOLW-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.24
Rot. Bonds6

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

1-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol (PubChem CID 22405844) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol.

Molecular Properties

Compound Name1-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol
PubChem CID22405844
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name1-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol
SMILESOC(CCCN1CC2CC(c3ccccc3)C2C1)c1ccccc1
InChIInChI=1S/C22H27NO/c24-22(18-10-5-2-6-11-18)12-7-13-23-15-19-14-20(21(19)16-23)17-8-3-1-4-9-17/h1-6,8-11,19-22,24H,7,12-16H2
InChIKeyJVUHPDLKMYKOLW-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 1-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

Related Compounds

4-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-(4-fluorophenyl)butan-1-ol
CID 22405811
3-benzyl-6-phenyl-3-azabicyclo[3.2.0]heptane
CID 19963621
4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol
CID 70186639
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 115562031
N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide
CID 22405818
4-(4-ethylpiperazin-1-yl)-1-phenylbutan-1-ol
CID 20795319
4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
CID 19937449
4-fluoro-N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide
CID 22405862
N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide
CID 21426522
N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111471582
4-[(4aS,9bS)-5-phenyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1-phenylbutan-1-ol
CID 70572745
1-[4-[(1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]butyl]-3,4-dihydro-1-benzazepine-2,5-dione;hydrochloride
CID 68584199

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol?
The IUPAC name of 1-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol (CID 22405844) is 1-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol.
What is the SMILES notation for 1-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol?
The canonical SMILES for 1-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol is OC(CCCN1CC2CC(c3ccccc3)C2C1)c1ccccc1.
What is the InChIKey of 1-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol?
The InChIKey is JVUHPDLKMYKOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c24-22(18-10-5-2-6-11-18)12-7-13-23-15-19-14-20(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 1-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol?
1-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 1-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol is sourced from PubChem (CID 22405844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).