4-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)morpholine

C11H16N2O2 — CID 648802

IUPAC4-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)morpholine
SMILESCc1cc(N2CCOCC2)cc(C)[n+]1[O-]
InChIInChI=1S/C11H16N2O2/c1-9-7-11(8-10(2)13(9)14)12-3-5-15-6-4-12/h7-8H,3-6H2,1-2H3
InChIKeyVKLRUGSDXVXOGG-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.77
Rot. Bonds1

About 4-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)morpholine

4-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)morpholine (PubChem CID 648802) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)morpholine.

Molecular Properties

Compound Name4-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)morpholine
PubChem CID648802
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)morpholine
SMILESCc1cc(N2CCOCC2)cc(C)[n+]1[O-]
InChIInChI=1S/C11H16N2O2/c1-9-7-11(8-10(2)13(9)14)12-3-5-15-6-4-12/h7-8H,3-6H2,1-2H3
InChIKeyVKLRUGSDXVXOGG-UHFFFAOYSA-N
XLogP0.77
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)morpholine?
The IUPAC name of 4-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)morpholine (CID 648802) is 4-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)morpholine.
What is the SMILES notation for 4-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)morpholine?
The canonical SMILES for 4-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)morpholine is Cc1cc(N2CCOCC2)cc(C)[n+]1[O-].
What is the InChIKey of 4-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)morpholine?
The InChIKey is VKLRUGSDXVXOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9-7-11(8-10(2)13(9)14)12-3-5-15-6-4-12/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)morpholine?
4-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)morpholine has a molecular weight of 208.26 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)morpholine is sourced from PubChem (CID 648802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).