2-(3-azabicyclo[3.2.2]nonan-3-yl)cyclohexan-1-ol

C14H25NO — CID 15925781

IUPAC2-(3-azabicyclo[3.2.2]nonan-3-yl)cyclohexan-1-ol
SMILESOC1CCCCC1N1CC2CCC(CC2)C1
InChIInChI=1S/C14H25NO/c16-14-4-2-1-3-13(14)15-9-11-5-6-12(10-15)8-7-11/h11-14,16H,1-10H2
InChIKeyIARIRTLONWFFST-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.41
Rot. Bonds1

About 2-(3-azabicyclo[3.2.2]nonan-3-yl)cyclohexan-1-ol

2-(3-azabicyclo[3.2.2]nonan-3-yl)cyclohexan-1-ol (PubChem CID 15925781) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.2.2]nonan-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-azabicyclo[3.2.2]nonan-3-yl)cyclohexan-1-ol
PubChem CID15925781
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-(3-azabicyclo[3.2.2]nonan-3-yl)cyclohexan-1-ol
SMILESOC1CCCCC1N1CC2CCC(CC2)C1
InChIInChI=1S/C14H25NO/c16-14-4-2-1-3-13(14)15-9-11-5-6-12(10-15)8-7-11/h11-14,16H,1-10H2
InChIKeyIARIRTLONWFFST-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.2.2]nonan-3-yl)cyclohexan-1-ol?
The IUPAC name of 2-(3-azabicyclo[3.2.2]nonan-3-yl)cyclohexan-1-ol (CID 15925781) is 2-(3-azabicyclo[3.2.2]nonan-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(3-azabicyclo[3.2.2]nonan-3-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(3-azabicyclo[3.2.2]nonan-3-yl)cyclohexan-1-ol is OC1CCCCC1N1CC2CCC(CC2)C1.
What is the InChIKey of 2-(3-azabicyclo[3.2.2]nonan-3-yl)cyclohexan-1-ol?
The InChIKey is IARIRTLONWFFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c16-14-4-2-1-3-13(14)15-9-11-5-6-12(10-15)8-7-11/h11-14,16H,1-10H2.
What are the key properties of 2-(3-azabicyclo[3.2.2]nonan-3-yl)cyclohexan-1-ol?
2-(3-azabicyclo[3.2.2]nonan-3-yl)cyclohexan-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.2.2]nonan-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 15925781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).