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

C11H19ClN4O6 — CID 18420035

IUPAC2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine perchlorate
SMILESCOc1nc(OC)nc([N+]2(C)CCCCC2)n1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C11H19N4O2.ClHO4/c1-15(7-5-4-6-8-15)9-12-10(16-2)14-11(13-9)17-3;2-1(3,4)5/h4-8H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyNOQQNMYDBOXWJJ-UHFFFAOYSA-M
MW338.75 g/mol
LogP-3.75
Rot. Bonds3

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

2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine perchlorate (PubChem CID 18420035) has the molecular formula C11H19ClN4O6 and a molecular weight of 338.75 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine perchlorate.

Molecular Properties

Compound Name2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine perchlorate
PubChem CID18420035
Molecular FormulaC11H19ClN4O6
Molecular Weight338.75 g/mol
Exact Mass338.10
IUPAC Name2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine perchlorate
SMILESCOc1nc(OC)nc([N+]2(C)CCCCC2)n1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C11H19N4O2.ClHO4/c1-15(7-5-4-6-8-15)9-12-10(16-2)14-11(13-9)17-3;2-1(3,4)5/h4-8H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyNOQQNMYDBOXWJJ-UHFFFAOYSA-M
XLogP-3.75
TPSA149.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 5-3.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 perchlorate with MolForge

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

Launch Full Analysis

Related Compounds

[(4-Methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
CID 4918510
1,3,5-Triazine-2,4-diamine, N,N,N',N'-tetramethyl-6-(1-piperidinyl)-
CID 969866
2,4-Diethoxy-6-(4-methyl-piperidin-1-yl)-[1,3,5]triazine
CID 646455
1-(4,6-Dimethoxy-1,3,5-triazin-2-yl)azepane
CID 818684
2-Chloro-4-methoxy-6-(piperidin-1-yl)-1,3,5-triazine
CID 611667
2-Chloro-4-ethoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine
CID 5150976
4,6-dimethoxy-N,N-dipropyl-1,3,5-triazin-2-amine
CID 977545
2-(Piperidin-1-yl)-4,6-bis(prop-2-yn-1-yloxy)-1,3,5-triazine
CID 4332938
4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 14813048
2,4-Dimethoxy-6-(piperidin-1-yl)-1,3,5-triazine
CID 816732
2-(1-Ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine
CID 18420077
2-Chloro-4-ethoxy-6-(piperidin-1-yl)-1,3,5-triazine
CID 706525

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine perchlorate?
The IUPAC name of 2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine perchlorate (CID 18420035) is 2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine perchlorate.
What is the SMILES notation for 2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine perchlorate?
The canonical SMILES for 2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine perchlorate is COc1nc(OC)nc([N+]2(C)CCCCC2)n1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine perchlorate?
The InChIKey is NOQQNMYDBOXWJJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H19N4O2.ClHO4/c1-15(7-5-4-6-8-15)9-12-10(16-2)14-11(13-9)17-3;2-1(3,4)5/h4-8H2,1-3H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine perchlorate?
2,4-dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine perchlorate has a molecular weight of 338.75 g/mol, XLogP of -3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 9 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 perchlorate is sourced from PubChem (CID 18420035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).