3-(6-methoxy-2-pyridinyl)-1-azabicyclo[2.2.2]octane

C13H18N2O — CID 18966424

IUPAC3-(6-methoxy-2-pyridinyl)-1-azabicyclo[2.2.2]octane
SMILESCOc1cccc(C2CN3CCC2CC3)n1
InChIInChI=1S/C13H18N2O/c1-16-13-4-2-3-12(14-13)11-9-15-7-5-10(11)6-8-15/h2-4,10-11H,5-9H2,1H3
InChIKeyWGKJILKASZROCF-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.90
Rot. Bonds2

About 3-(6-methoxy-2-pyridinyl)-1-azabicyclo[2.2.2]octane

3-(6-methoxy-2-pyridinyl)-1-azabicyclo[2.2.2]octane (PubChem CID 18966424) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(6-methoxy-2-pyridinyl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(6-methoxy-2-pyridinyl)-1-azabicyclo[2.2.2]octane
PubChem CID18966424
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(6-methoxy-2-pyridinyl)-1-azabicyclo[2.2.2]octane
SMILESCOc1cccc(C2CN3CCC2CC3)n1
InChIInChI=1S/C13H18N2O/c1-16-13-4-2-3-12(14-13)11-9-15-7-5-10(11)6-8-15/h2-4,10-11H,5-9H2,1H3
InChIKeyWGKJILKASZROCF-UHFFFAOYSA-N
XLogP1.90
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2-pyridinyl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(6-methoxy-2-pyridinyl)-1-azabicyclo[2.2.2]octane (CID 18966424) is 3-(6-methoxy-2-pyridinyl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(6-methoxy-2-pyridinyl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(6-methoxy-2-pyridinyl)-1-azabicyclo[2.2.2]octane is COc1cccc(C2CN3CCC2CC3)n1.
What is the InChIKey of 3-(6-methoxy-2-pyridinyl)-1-azabicyclo[2.2.2]octane?
The InChIKey is WGKJILKASZROCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-16-13-4-2-3-12(14-13)11-9-15-7-5-10(11)6-8-15/h2-4,10-11H,5-9H2,1H3.
What are the key properties of 3-(6-methoxy-2-pyridinyl)-1-azabicyclo[2.2.2]octane?
3-(6-methoxy-2-pyridinyl)-1-azabicyclo[2.2.2]octane has a molecular weight of 218.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2-pyridinyl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 18966424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).