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

C13H23N4O2+ — CID 6451779

IUPAC2,4-diethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine
SMILESCCOc1nc(OCC)nc([N+]2(C)CCCCC2)n1
InChIInChI=1S/C13H23N4O2/c1-4-18-12-14-11(15-13(16-12)19-5-2)17(3)9-7-6-8-10-17/h4-10H2,1-3H3/q+1
InChIKeyQWHQSELIGATXJS-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.79
Rot. Bonds5

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

2,4-diethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine (PubChem CID 6451779) has the molecular formula C13H23N4O2+ and a molecular weight of 267.35 g/mol. Its IUPAC name is 2,4-diethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine
PubChem CID6451779
Molecular FormulaC13H23N4O2+
Molecular Weight267.35 g/mol
Exact Mass267.18
IUPAC Name2,4-diethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine
SMILESCCOc1nc(OCC)nc([N+]2(C)CCCCC2)n1
InChIInChI=1S/C13H23N4O2/c1-4-18-12-14-11(15-13(16-12)19-5-2)17(3)9-7-6-8-10-17/h4-10H2,1-3H3/q+1
InChIKeyQWHQSELIGATXJS-UHFFFAOYSA-N
XLogP1.79
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-diethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine (CID 6451779) is 2,4-diethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-diethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine is CCOc1nc(OCC)nc([N+]2(C)CCCCC2)n1.
What is the InChIKey of 2,4-diethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine?
The InChIKey is QWHQSELIGATXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N4O2/c1-4-18-12-14-11(15-13(16-12)19-5-2)17(3)9-7-6-8-10-17/h4-10H2,1-3H3/q+1.
What are the key properties of 2,4-diethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine?
2,4-diethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine has a molecular weight of 267.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine is sourced from PubChem (CID 6451779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).