3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol

C12H16N2O — CID 15196232

IUPAC3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1(c2cccnc2)CN2CCC1CC2
InChIInChI=1S/C12H16N2O/c15-12(11-2-1-5-13-8-11)9-14-6-3-10(12)4-7-14/h1-2,5,8,10,15H,3-4,6-7,9H2
InChIKeyAPILBXBLRXLWNS-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.99
Rot. Bonds1

About 3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol

3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 15196232) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID15196232
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1(c2cccnc2)CN2CCC1CC2
InChIInChI=1S/C12H16N2O/c15-12(11-2-1-5-13-8-11)9-14-6-3-10(12)4-7-14/h1-2,5,8,10,15H,3-4,6-7,9H2
InChIKeyAPILBXBLRXLWNS-UHFFFAOYSA-N
XLogP0.99
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol (CID 15196232) is 3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol is OC1(c2cccnc2)CN2CCC1CC2.
What is the InChIKey of 3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is APILBXBLRXLWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12(11-2-1-5-13-8-11)9-14-6-3-10(12)4-7-14/h1-2,5,8,10,15H,3-4,6-7,9H2.
What are the key properties of 3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol?
3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 204.27 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 15196232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).