4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol

C15H21NO — CID 83823956

IUPAC4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol
SMILESOC1(Cc2ccccc2)CCN2CCC1CC2
InChIInChI=1S/C15H21NO/c17-15(12-13-4-2-1-3-5-13)8-11-16-9-6-14(15)7-10-16/h1-5,14,17H,6-12H2
InChIKeyVJZUICGZNFCICE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.08
Rot. Bonds2

About 4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol

4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol (PubChem CID 83823956) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol.

Molecular Properties

Compound Name4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol
PubChem CID83823956
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol
SMILESOC1(Cc2ccccc2)CCN2CCC1CC2
InChIInChI=1S/C15H21NO/c17-15(12-13-4-2-1-3-5-13)8-11-16-9-6-14(15)7-10-16/h1-5,14,17H,6-12H2
InChIKeyVJZUICGZNFCICE-UHFFFAOYSA-N
XLogP2.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365757
4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105366009
4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105366023
1-benzyl-2,3-dimethylcyclohexan-1-ol
CID 64754174
4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365938
4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365930
4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365768
4-benzyl-1-phenylpiperidin-4-ol
CID 106820760
4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365921
(2-benzyl-2-hydroxycyclohexyl)-(4-methylpiperidin-1-yl)methanone
CID 145487653
1-benzyl-2-methylsulfonylcyclopentan-1-ol
CID 65049982
2-benzyl-N-[2-[(2-benzyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide
CID 145487640

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol?
The IUPAC name of 4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol (CID 83823956) is 4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol.
What is the SMILES notation for 4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol?
The canonical SMILES for 4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol is OC1(Cc2ccccc2)CCN2CCC1CC2.
What is the InChIKey of 4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol?
The InChIKey is VJZUICGZNFCICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-15(12-13-4-2-1-3-5-13)8-11-16-9-6-14(15)7-10-16/h1-5,14,17H,6-12H2.
What are the key properties of 4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol?
4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol has a molecular weight of 231.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol is sourced from PubChem (CID 83823956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).