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

C26H35NO — CID 171957205

IUPAC8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCCCc1ccc(C2(O)CC3CCC(C2)N3Cc2ccccc2)cc1
InChIInChI=1S/C26H35NO/c1-2-3-4-6-9-21-12-14-23(15-13-21)26(28)18-24-16-17-25(19-26)27(24)20-22-10-7-5-8-11-22/h5,7-8,10-15,24-25,28H,2-4,6,9,16-20H2,1H3
InChIKeyRGGKJKFPWALXCL-UHFFFAOYSA-N
MW377.57 g/mol
LogP5.82
Rot. Bonds8

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

8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171957205) has the molecular formula C26H35NO and a molecular weight of 377.57 g/mol. Its IUPAC name is 8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171957205
Molecular FormulaC26H35NO
Molecular Weight377.57 g/mol
Exact Mass377.27
IUPAC Name8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCCCc1ccc(C2(O)CC3CCC(C2)N3Cc2ccccc2)cc1
InChIInChI=1S/C26H35NO/c1-2-3-4-6-9-21-12-14-23(15-13-21)26(28)18-24-16-17-25(19-26)27(24)20-22-10-7-5-8-11-22/h5,7-8,10-15,24-25,28H,2-4,6,9,16-20H2,1H3
InChIKeyRGGKJKFPWALXCL-UHFFFAOYSA-N
XLogP5.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

8-benzyl-3-decyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955895
8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171959524
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
3-(4-hexylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171957207
9-benzyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952834
(1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
CID 51893359
8-benzyl-3-(4-methoxy-3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961415
9H-fluoren-9-ylmethyl 3-(4-hexylphenyl)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171957214
4-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-2-fluorobenzonitrile
CID 171960871
hexylbenzene;hydrogen peroxide
CID 90001206
9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959095
8-benzyl-3-(3,4-difluoro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954789

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171957205) is 8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol is CCCCCCc1ccc(C2(O)CC3CCC(C2)N3Cc2ccccc2)cc1.
What is the InChIKey of 8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is RGGKJKFPWALXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO/c1-2-3-4-6-9-21-12-14-23(15-13-21)26(28)18-24-16-17-25(19-26)27(24)20-22-10-7-5-8-11-22/h5,7-8,10-15,24-25,28H,2-4,6,9,16-20H2,1H3.
What are the key properties of 8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 377.57 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171957205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).