8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol

C22H25NO — CID 171958821

IUPAC8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=Cc1ccccc1C1(O)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C22H25NO/c1-2-18-10-6-7-11-21(18)22(24)14-19-12-13-20(15-22)23(19)16-17-8-4-3-5-9-17/h2-11,19-20,24H,1,12-16H2
InChIKeyJBOIMSVPJGZJQT-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.34
Rot. Bonds4

About 8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol

8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171958821) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171958821
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=Cc1ccccc1C1(O)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C22H25NO/c1-2-18-10-6-7-11-21(18)22(24)14-19-12-13-20(15-22)23(19)16-17-8-4-3-5-9-17/h2-11,19-20,24H,1,12-16H2
InChIKeyJBOIMSVPJGZJQT-UHFFFAOYSA-N
XLogP4.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-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

8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954961
8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957894
8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957624
8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964404
8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 171956091
tert-butyl 3-(2-ethenylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171958818
8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 83825755
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171958704
(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 82665053
9-benzyl-3-[2-methyl-3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964115
8-benzyl-8-azabicyclo[3.2.1]octan-3-one;8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 159859403

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171958821) is 8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol is C=Cc1ccccc1C1(O)CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is JBOIMSVPJGZJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-2-18-10-6-7-11-21(18)22(24)14-19-12-13-20(15-22)23(19)16-17-8-4-3-5-9-17/h2-11,19-20,24H,1,12-16H2.
What are the key properties of 8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 319.45 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171958821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).