8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol

C22H35NO — CID 171959524

IUPAC8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCCCCCC1(O)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C22H35NO/c1-2-3-4-5-6-10-15-22(24)16-20-13-14-21(17-22)23(20)18-19-11-8-7-9-12-19/h7-9,11-12,20-21,24H,2-6,10,13-18H2,1H3
InChIKeyODSMFADRVJOCNV-UHFFFAOYSA-N
MW329.53 g/mol
LogP5.30
Rot. Bonds9

About 8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol

8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171959524) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is 8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171959524
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC Name8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCCCCCC1(O)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C22H35NO/c1-2-3-4-5-6-10-15-22(24)16-20-13-14-21(17-22)23(20)18-19-11-8-7-9-12-19/h7-9,11-12,20-21,24H,2-6,10,13-18H2,1H3
InChIKeyODSMFADRVJOCNV-UHFFFAOYSA-N
XLogP5.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.30
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-octyl-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
9-benzyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952834
8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962172
8-benzyl-3-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954986
9-benzyl-3-(4-methoxybutyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952059
8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957205
8-benzyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171952151
8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171962124
8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171953542
8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 83825755
9-benzyl-7-(3-phenylmethoxypropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963356
8-benzyl-3-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171959064

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol (CID 171959524) is 8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol is CCCCCCCCC1(O)CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ODSMFADRVJOCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO/c1-2-3-4-5-6-10-15-22(24)16-20-13-14-21(17-22)23(20)18-19-11-8-7-9-12-19/h7-9,11-12,20-21,24H,2-6,10,13-18H2,1H3.
What are the key properties of 8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol?
8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 329.53 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171959524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).