9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol

C22H33NO — CID 171964952

IUPAC9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(C2CCCCCC2)CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C22H33NO/c24-22(19-11-6-1-2-7-12-19)15-20-13-8-14-21(16-22)23(20)17-18-9-4-3-5-10-18/h3-5,9-10,19-21,24H,1-2,6-8,11-17H2
InChIKeyZBEMAQMMLUOVQP-UHFFFAOYSA-N
MW327.51 g/mol
LogP4.91
Rot. Bonds3

About 9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol

9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171964952) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is 9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171964952
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Name9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(C2CCCCCC2)CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C22H33NO/c24-22(19-11-6-1-2-7-12-19)15-20-13-8-14-21(16-22)23(20)17-18-9-4-3-5-10-18/h3-5,9-10,19-21,24H,1-2,6-8,11-17H2
InChIKeyZBEMAQMMLUOVQP-UHFFFAOYSA-N
XLogP4.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-benzyl-7-cyclopropyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171953238
9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953205
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
3-amino-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 171936432
9-benzyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952834
9-benzyl-3-[(2,6-dimethylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962131
N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine
CID 11859694
[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol
CID 59404485
8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 83825755
9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171958704
9-benzyl-3-(4-methoxybutyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952059
(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 82665053

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171964952) is 9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol is OC1(C2CCCCCC2)CC2CCCC(C1)N2Cc1ccccc1.
What is the InChIKey of 9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is ZBEMAQMMLUOVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO/c24-22(19-11-6-1-2-7-12-19)15-20-13-8-14-21(16-22)23(20)17-18-9-4-3-5-10-18/h3-5,9-10,19-21,24H,1-2,6-8,11-17H2.
What are the key properties of 9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol?
9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 327.51 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171964952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).