3-[1-[6-(4-fluorophenoxy)-2-pyridinyl]cyclopropyl]-1-azabicyclo[2.2.2]octane

C21H23FN2O — CID 90046780

IUPAC3-[1-[6-(4-fluorophenoxy)-2-pyridinyl]cyclopropyl]-1-azabicyclo[2.2.2]octane
SMILESFc1ccc(Oc2cccc(C3(C4CN5CCC4CC5)CC3)n2)cc1
InChIInChI=1S/C21H23FN2O/c22-16-4-6-17(7-5-16)25-20-3-1-2-19(23-20)21(10-11-21)18-14-24-12-8-15(18)9-13-24/h1-7,15,18H,8-14H2
InChIKeyCAENKPZXQJTMGY-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.39
Rot. Bonds4

About 3-[1-[6-(4-fluorophenoxy)-2-pyridinyl]cyclopropyl]-1-azabicyclo[2.2.2]octane

3-[1-[6-(4-fluorophenoxy)-2-pyridinyl]cyclopropyl]-1-azabicyclo[2.2.2]octane (PubChem CID 90046780) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is 3-[1-[6-(4-fluorophenoxy)-2-pyridinyl]cyclopropyl]-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-[1-[6-(4-fluorophenoxy)-2-pyridinyl]cyclopropyl]-1-azabicyclo[2.2.2]octane
PubChem CID90046780
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name3-[1-[6-(4-fluorophenoxy)-2-pyridinyl]cyclopropyl]-1-azabicyclo[2.2.2]octane
SMILESFc1ccc(Oc2cccc(C3(C4CN5CCC4CC5)CC3)n2)cc1
InChIInChI=1S/C21H23FN2O/c22-16-4-6-17(7-5-16)25-20-3-1-2-19(23-20)21(10-11-21)18-14-24-12-8-15(18)9-13-24/h1-7,15,18H,8-14H2
InChIKeyCAENKPZXQJTMGY-UHFFFAOYSA-N
XLogP4.39
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(4-fluorophenoxy)-2-pyridinyl]cyclopropyl]-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-[1-[6-(4-fluorophenoxy)-2-pyridinyl]cyclopropyl]-1-azabicyclo[2.2.2]octane (CID 90046780) is 3-[1-[6-(4-fluorophenoxy)-2-pyridinyl]cyclopropyl]-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-[1-[6-(4-fluorophenoxy)-2-pyridinyl]cyclopropyl]-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-[1-[6-(4-fluorophenoxy)-2-pyridinyl]cyclopropyl]-1-azabicyclo[2.2.2]octane is Fc1ccc(Oc2cccc(C3(C4CN5CCC4CC5)CC3)n2)cc1.
What is the InChIKey of 3-[1-[6-(4-fluorophenoxy)-2-pyridinyl]cyclopropyl]-1-azabicyclo[2.2.2]octane?
The InChIKey is CAENKPZXQJTMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c22-16-4-6-17(7-5-16)25-20-3-1-2-19(23-20)21(10-11-21)18-14-24-12-8-15(18)9-13-24/h1-7,15,18H,8-14H2.
What are the key properties of 3-[1-[6-(4-fluorophenoxy)-2-pyridinyl]cyclopropyl]-1-azabicyclo[2.2.2]octane?
3-[1-[6-(4-fluorophenoxy)-2-pyridinyl]cyclopropyl]-1-azabicyclo[2.2.2]octane has a molecular weight of 338.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(4-fluorophenoxy)-2-pyridinyl]cyclopropyl]-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 90046780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).