9-benzyl-1-azabicyclo[3.3.1]nonan-2-ol

C15H21NO — CID 23448444

IUPAC9-benzyl-1-azabicyclo[3.3.1]nonan-2-ol
SMILESOC1CCC2CCCN1C2Cc1ccccc1
InChIInChI=1S/C15H21NO/c17-15-9-8-13-7-4-10-16(15)14(13)11-12-5-2-1-3-6-12/h1-3,5-6,13-15,17H,4,7-11H2
InChIKeyNMNIXHBIVJWDBF-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.42
Rot. Bonds2

About 9-benzyl-1-azabicyclo[3.3.1]nonan-2-ol

9-benzyl-1-azabicyclo[3.3.1]nonan-2-ol (PubChem CID 23448444) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 9-benzyl-1-azabicyclo[3.3.1]nonan-2-ol.

Molecular Properties

Compound Name9-benzyl-1-azabicyclo[3.3.1]nonan-2-ol
PubChem CID23448444
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name9-benzyl-1-azabicyclo[3.3.1]nonan-2-ol
SMILESOC1CCC2CCCN1C2Cc1ccccc1
InChIInChI=1S/C15H21NO/c17-15-9-8-13-7-4-10-16(15)14(13)11-12-5-2-1-3-6-12/h1-3,5-6,13-15,17H,4,7-11H2
InChIKeyNMNIXHBIVJWDBF-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-1-azabicyclo[3.3.1]nonan-2-ol?
The IUPAC name of 9-benzyl-1-azabicyclo[3.3.1]nonan-2-ol (CID 23448444) is 9-benzyl-1-azabicyclo[3.3.1]nonan-2-ol.
What is the SMILES notation for 9-benzyl-1-azabicyclo[3.3.1]nonan-2-ol?
The canonical SMILES for 9-benzyl-1-azabicyclo[3.3.1]nonan-2-ol is OC1CCC2CCCN1C2Cc1ccccc1.
What is the InChIKey of 9-benzyl-1-azabicyclo[3.3.1]nonan-2-ol?
The InChIKey is NMNIXHBIVJWDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-15-9-8-13-7-4-10-16(15)14(13)11-12-5-2-1-3-6-12/h1-3,5-6,13-15,17H,4,7-11H2.
What are the key properties of 9-benzyl-1-azabicyclo[3.3.1]nonan-2-ol?
9-benzyl-1-azabicyclo[3.3.1]nonan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-1-azabicyclo[3.3.1]nonan-2-ol is sourced from PubChem (CID 23448444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).