4-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-pyridinyl]morpholine

C16H23N3O — CID 45102789

IUPAC4-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-pyridinyl]morpholine
SMILESc1cc(N2CCOCC2)ncc1C1CN2CCC1CC2
InChIInChI=1S/C16H23N3O/c1-2-16(19-7-9-20-10-8-19)17-11-14(1)15-12-18-5-3-13(15)4-6-18/h1-2,11,13,15H,3-10,12H2
InChIKeyXQCIUXBVISSCDG-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.73
Rot. Bonds2

About 4-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-pyridinyl]morpholine

4-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-pyridinyl]morpholine (PubChem CID 45102789) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-pyridinyl]morpholine
PubChem CID45102789
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-pyridinyl]morpholine
SMILESc1cc(N2CCOCC2)ncc1C1CN2CCC1CC2
InChIInChI=1S/C16H23N3O/c1-2-16(19-7-9-20-10-8-19)17-11-14(1)15-12-18-5-3-13(15)4-6-18/h1-2,11,13,15H,3-10,12H2
InChIKeyXQCIUXBVISSCDG-UHFFFAOYSA-N
XLogP1.73
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-pyridinyl]morpholine (CID 45102789) is 4-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-pyridinyl]morpholine is c1cc(N2CCOCC2)ncc1C1CN2CCC1CC2.
What is the InChIKey of 4-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-pyridinyl]morpholine?
The InChIKey is XQCIUXBVISSCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-16(19-7-9-20-10-8-19)17-11-14(1)15-12-18-5-3-13(15)4-6-18/h1-2,11,13,15H,3-10,12H2.
What are the key properties of 4-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-pyridinyl]morpholine?
4-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-pyridinyl]morpholine has a molecular weight of 273.38 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 45102789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).