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

C23H29NO2 — CID 171954986

IUPAC8-benzyl-3-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(CCCOc2ccccc2)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H29NO2/c25-23(14-7-15-26-22-10-5-2-6-11-22)16-20-12-13-21(17-23)24(20)18-19-8-3-1-4-9-19/h1-6,8-11,20-21,25H,7,12-18H2
InChIKeyOKOKYYLNPPWTDS-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.40
Rot. Bonds7

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

8-benzyl-3-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171954986) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 8-benzyl-3-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-benzyl-3-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171954986
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name8-benzyl-3-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(CCCOc2ccccc2)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H29NO2/c25-23(14-7-15-26-22-10-5-2-6-11-22)16-20-12-13-21(17-23)24(20)18-19-8-3-1-4-9-19/h1-6,8-11,20-21,25H,7,12-18H2
InChIKeyOKOKYYLNPPWTDS-UHFFFAOYSA-N
XLogP4.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962172
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
9-benzyl-3-(4-methoxybutyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952059
9-benzyl-7-(3-phenylmethoxypropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963356
9-benzyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952834
8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961165
8-benzyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171952151
8-benzyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171956906
8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171962124
8-benzyl-3-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171959064
8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 83825755

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-benzyl-3-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171954986) is 8-benzyl-3-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-benzyl-3-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-benzyl-3-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1(CCCOc2ccccc2)CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is OKOKYYLNPPWTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c25-23(14-7-15-26-22-10-5-2-6-11-22)16-20-12-13-21(17-23)24(20)18-19-8-3-1-4-9-19/h1-6,8-11,20-21,25H,7,12-18H2.
What are the key properties of 8-benzyl-3-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-benzyl-3-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 351.49 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171954986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).