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

C11H19N4O+ — CID 58220543

IUPAC2-methoxy-4-methyl-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine
SMILESCOc1nc(C)nc([N+]2(C)CCCCC2)n1
InChIInChI=1S/C11H19N4O/c1-9-12-10(14-11(13-9)16-3)15(2)7-5-4-6-8-15/h4-8H2,1-3H3/q+1
InChIKeySFKCTSXUPVCXGP-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.31
Rot. Bonds2

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

2-methoxy-4-methyl-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine (PubChem CID 58220543) has the molecular formula C11H19N4O+ and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-methoxy-4-methyl-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-methoxy-4-methyl-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine
PubChem CID58220543
Molecular FormulaC11H19N4O+
Molecular Weight223.30 g/mol
Exact Mass223.16
IUPAC Name2-methoxy-4-methyl-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine
SMILESCOc1nc(C)nc([N+]2(C)CCCCC2)n1
InChIInChI=1S/C11H19N4O/c1-9-12-10(14-11(13-9)16-3)15(2)7-5-4-6-8-15/h4-8H2,1-3H3/q+1
InChIKeySFKCTSXUPVCXGP-UHFFFAOYSA-N
XLogP1.31
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-4-methyl-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

4-Ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile
CID 729558
4-Methoxy-6-piperidin-1-yl-[1,3,5]triazine-2-carbonitrile
CID 729323
N'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide
CID 135544634
s-Triazine, 2,4-dipiperidino-6-methyl-
CID 33386
1,3,5-Triazin-2-amine, 4-methyl-6-(1-piperidinyl)-
CID 207476
N,N,4-Triethyl-6-methoxy-1,3,5-triazin-2-amine
CID 199902
N,N-Diethyl-4-methoxy-6-propyl-1,3,5-triazin-2-amine
CID 199908
s-Triazine, 2,4-dipiperidino-6-ethyl-
CID 206633
Triazine, 2-amino-4-isopropyl-6-piperidino-
CID 207477
[4-methoxy-6-(1-piperidinyl)-1H-1,3,5-triazin-2-ylidene]-nitrosomethanamine
CID 3237464
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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine?
The IUPAC name of 2-methoxy-4-methyl-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine (CID 58220543) is 2-methoxy-4-methyl-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-methoxy-4-methyl-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-methoxy-4-methyl-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine is COc1nc(C)nc([N+]2(C)CCCCC2)n1.
What is the InChIKey of 2-methoxy-4-methyl-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine?
The InChIKey is SFKCTSXUPVCXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N4O/c1-9-12-10(14-11(13-9)16-3)15(2)7-5-4-6-8-15/h4-8H2,1-3H3/q+1.
What are the key properties of 2-methoxy-4-methyl-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine?
2-methoxy-4-methyl-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine has a molecular weight of 223.30 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine is sourced from PubChem (CID 58220543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).