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

C23H29NO — CID 171962172

IUPAC8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(CCCc2ccccc2)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H29NO/c25-23(15-7-12-19-8-3-1-4-9-19)16-21-13-14-22(17-23)24(21)18-20-10-5-2-6-11-20/h1-6,8-11,21-22,25H,7,12-18H2
InChIKeyBCRAXSCEMVJBNW-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.57
Rot. Bonds6

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

8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171962172) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171962172
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(CCCc2ccccc2)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H29NO/c25-23(15-7-12-19-8-3-1-4-9-19)16-21-13-14-22(17-23)24(21)18-20-10-5-2-6-11-20/h1-6,8-11,21-22,25H,7,12-18H2
InChIKeyBCRAXSCEMVJBNW-UHFFFAOYSA-N
XLogP4.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-benzyl-3-(3-phenylpropyl)-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
8-benzyl-3-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954986
9-benzyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952834
8-benzyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171952151
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
9-benzyl-7-(3-phenylmethoxypropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963356
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
9-benzyl-7-(4,4,4-trifluorobutyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171964321

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171962172) is 8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1(CCCc2ccccc2)CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is BCRAXSCEMVJBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c25-23(15-7-12-19-8-3-1-4-9-19)16-21-13-14-22(17-23)24(21)18-20-10-5-2-6-11-20/h1-6,8-11,21-22,25H,7,12-18H2.
What are the key properties of 8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 335.49 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171962172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).