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

C11H19ClN4O2 — CID 141014854

IUPAC2,4-dimethoxy-6-(4-methylpiperidin-1-ium-1-yl)-1,3,5-triazine chloride
SMILESCOc1nc(OC)nc([NH+]2CCC(C)CC2)n1.[Cl-]
InChIInChI=1S/C11H18N4O2.ClH/c1-8-4-6-15(7-5-8)9-12-10(16-2)14-11(13-9)17-3;/h8H,4-7H2,1-3H3;1H
InChIKeyLIURDKDIWMOGHB-UHFFFAOYSA-N
MW274.75 g/mol
LogP-3.16
Rot. Bonds3

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

2,4-dimethoxy-6-(4-methylpiperidin-1-ium-1-yl)-1,3,5-triazine chloride (PubChem CID 141014854) has the molecular formula C11H19ClN4O2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(4-methylpiperidin-1-ium-1-yl)-1,3,5-triazine chloride.

Molecular Properties

Compound Name2,4-dimethoxy-6-(4-methylpiperidin-1-ium-1-yl)-1,3,5-triazine chloride
PubChem CID141014854
Molecular FormulaC11H19ClN4O2
Molecular Weight274.75 g/mol
Exact Mass274.12
IUPAC Name2,4-dimethoxy-6-(4-methylpiperidin-1-ium-1-yl)-1,3,5-triazine chloride
SMILESCOc1nc(OC)nc([NH+]2CCC(C)CC2)n1.[Cl-]
InChIInChI=1S/C11H18N4O2.ClH/c1-8-4-6-15(7-5-8)9-12-10(16-2)14-11(13-9)17-3;/h8H,4-7H2,1-3H3;1H
InChIKeyLIURDKDIWMOGHB-UHFFFAOYSA-N
XLogP-3.16
TPSA61.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 5-3.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-(4-methylpiperidin-1-ium-1-yl)-1,3,5-triazine chloride?
The IUPAC name of 2,4-dimethoxy-6-(4-methylpiperidin-1-ium-1-yl)-1,3,5-triazine chloride (CID 141014854) is 2,4-dimethoxy-6-(4-methylpiperidin-1-ium-1-yl)-1,3,5-triazine chloride.
What is the SMILES notation for 2,4-dimethoxy-6-(4-methylpiperidin-1-ium-1-yl)-1,3,5-triazine chloride?
The canonical SMILES for 2,4-dimethoxy-6-(4-methylpiperidin-1-ium-1-yl)-1,3,5-triazine chloride is COc1nc(OC)nc([NH+]2CCC(C)CC2)n1.[Cl-].
What is the InChIKey of 2,4-dimethoxy-6-(4-methylpiperidin-1-ium-1-yl)-1,3,5-triazine chloride?
The InChIKey is LIURDKDIWMOGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2.ClH/c1-8-4-6-15(7-5-8)9-12-10(16-2)14-11(13-9)17-3;/h8H,4-7H2,1-3H3;1H.
What are the key properties of 2,4-dimethoxy-6-(4-methylpiperidin-1-ium-1-yl)-1,3,5-triazine chloride?
2,4-dimethoxy-6-(4-methylpiperidin-1-ium-1-yl)-1,3,5-triazine chloride has a molecular weight of 274.75 g/mol, XLogP of -3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-(4-methylpiperidin-1-ium-1-yl)-1,3,5-triazine chloride is sourced from PubChem (CID 141014854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).