3-(4-butylphenyl)-8-azabicyclo[3.2.1]octan-3-ol

C17H25NO — CID 171955400

IUPAC3-(4-butylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCc1ccc(C2(O)CC3CCC(C2)N3)cc1
InChIInChI=1S/C17H25NO/c1-2-3-4-13-5-7-14(8-6-13)17(19)11-15-9-10-16(12-17)18-15/h5-8,15-16,18-19H,2-4,9-12H2,1H3
InChIKeyLZVWDIZHVGFFMU-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.13
Rot. Bonds4

About 3-(4-butylphenyl)-8-azabicyclo[3.2.1]octan-3-ol

3-(4-butylphenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171955400) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-(4-butylphenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(4-butylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171955400
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-(4-butylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCc1ccc(C2(O)CC3CCC(C2)N3)cc1
InChIInChI=1S/C17H25NO/c1-2-3-4-13-5-7-14(8-6-13)17(19)11-15-9-10-16(12-17)18-15/h5-8,15-16,18-19H,2-4,9-12H2,1H3
InChIKeyLZVWDIZHVGFFMU-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-butylphenyl)-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

3-(4-butylphenyl)-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171955409
3-(4-hexylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171957207
2-[4-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)phenyl]acetonitrile
CID 171960541
8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957205
4-hydroxy-4-(4-pentylphenyl)cyclohexane-1-carboxylic acid
CID 23181686
butyl 4-(4-butylphenyl)-4-hydroxycyclohexane-1-carboxylate
CID 19986675
4-(3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)benzonitrile
CID 171957923
3-[3-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171964053
[4-hydroxy-4-(4-pentylphenyl)cyclohexyl] hydrogen carbonate
CID 67930268
1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570
1-(4-propylphenyl)cyclopentan-1-ol
CID 62802063
3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 54595081

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(4-butylphenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171955400) is 3-(4-butylphenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(4-butylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(4-butylphenyl)-8-azabicyclo[3.2.1]octan-3-ol is CCCCc1ccc(C2(O)CC3CCC(C2)N3)cc1.
What is the InChIKey of 3-(4-butylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is LZVWDIZHVGFFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-3-4-13-5-7-14(8-6-13)17(19)11-15-9-10-16(12-17)18-15/h5-8,15-16,18-19H,2-4,9-12H2,1H3.
What are the key properties of 3-(4-butylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(4-butylphenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 259.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171955400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).