3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane

C12H16N2O — CID 66754415

IUPAC3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
SMILESc1cc(OC2CC3CCC(C2)N3)ccn1
InChIInChI=1S/C12H16N2O/c1-2-10-8-12(7-9(1)14-10)15-11-3-5-13-6-4-11/h3-6,9-10,12,14H,1-2,7-8H2
InChIKeyIGEZHWRGYWYXNS-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.74
Rot. Bonds2

About 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane

3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane (PubChem CID 66754415) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
PubChem CID66754415
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
SMILESc1cc(OC2CC3CCC(C2)N3)ccn1
InChIInChI=1S/C12H16N2O/c1-2-10-8-12(7-9(1)14-10)15-11-3-5-13-6-4-11/h3-6,9-10,12,14H,1-2,7-8H2
InChIKeyIGEZHWRGYWYXNS-UHFFFAOYSA-N
XLogP1.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane (CID 66754415) is 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane is c1cc(OC2CC3CCC(C2)N3)ccn1.
What is the InChIKey of 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
The InChIKey is IGEZHWRGYWYXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-10-8-12(7-9(1)14-10)15-11-3-5-13-6-4-11/h3-6,9-10,12,14H,1-2,7-8H2.
What are the key properties of 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane has a molecular weight of 204.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66754415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).