4-pyridin-4-ylmorpholine

C9H12N2O — CID 4145413

IUPAC4-pyridin-4-ylmorpholine
SMILESc1cc(N2CCOCC2)ccn1
InChIInChI=1S/C9H12N2O/c1-3-10-4-2-9(1)11-5-7-12-8-6-11/h1-4H,5-8H2
InChIKeyQJWQYVJVCXMTJP-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.92
Rot. Bonds1

About 4-pyridin-4-ylmorpholine

4-pyridin-4-ylmorpholine (PubChem CID 4145413) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-pyridin-4-ylmorpholine.

Molecular Properties

Compound Name4-pyridin-4-ylmorpholine
PubChem CID4145413
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-pyridin-4-ylmorpholine
SMILESc1cc(N2CCOCC2)ccn1
InChIInChI=1S/C9H12N2O/c1-3-10-4-2-9(1)11-5-7-12-8-6-11/h1-4H,5-8H2
InChIKeyQJWQYVJVCXMTJP-UHFFFAOYSA-N
XLogP0.92
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-ylmorpholine?
The IUPAC name of 4-pyridin-4-ylmorpholine (CID 4145413) is 4-pyridin-4-ylmorpholine.
What is the SMILES notation for 4-pyridin-4-ylmorpholine?
The canonical SMILES for 4-pyridin-4-ylmorpholine is c1cc(N2CCOCC2)ccn1.
What is the InChIKey of 4-pyridin-4-ylmorpholine?
The InChIKey is QJWQYVJVCXMTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-3-10-4-2-9(1)11-5-7-12-8-6-11/h1-4H,5-8H2.
What are the key properties of 4-pyridin-4-ylmorpholine?
4-pyridin-4-ylmorpholine has a molecular weight of 164.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-ylmorpholine is sourced from PubChem (CID 4145413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).