2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine

C11H19N4O2+ — CID 16678300

IUPAC2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine
SMILESCOc1nc(OC)nc([N+]2(C)CCCCC2)n1
InChIInChI=1S/C11H19N4O2/c1-15(7-5-4-6-8-15)9-12-10(16-2)14-11(13-9)17-3/h4-8H2,1-3H3/q+1
InChIKeyKAILAFUHLXQUMD-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.01
Rot. Bonds3

About 2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine

2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine (PubChem CID 16678300) has the molecular formula C11H19N4O2+ and a molecular weight of 239.30 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine
PubChem CID16678300
Molecular FormulaC11H19N4O2+
Molecular Weight239.30 g/mol
Exact Mass239.15
IUPAC Name2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine
SMILESCOc1nc(OC)nc([N+]2(C)CCCCC2)n1
InChIInChI=1S/C11H19N4O2/c1-15(7-5-4-6-8-15)9-12-10(16-2)14-11(13-9)17-3/h4-8H2,1-3H3/q+1
InChIKeyKAILAFUHLXQUMD-UHFFFAOYSA-N
XLogP1.01
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine 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 2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine (CID 16678300) is 2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine is COc1nc(OC)nc([N+]2(C)CCCCC2)n1.
What is the InChIKey of 2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine?
The InChIKey is KAILAFUHLXQUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N4O2/c1-15(7-5-4-6-8-15)9-12-10(16-2)14-11(13-9)17-3/h4-8H2,1-3H3/q+1.
What are the key properties of 2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine?
2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine has a molecular weight of 239.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine is sourced from PubChem (CID 16678300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).