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

C12H21N4O2+ — CID 18420077

IUPAC2-(1-ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine
SMILESCC[N+]1(c2nc(OC)nc(OC)n2)CCCCC1
InChIInChI=1S/C12H21N4O2/c1-4-16(8-6-5-7-9-16)10-13-11(17-2)15-12(14-10)18-3/h4-9H2,1-3H3/q+1
InChIKeyAUJIACYOHKHSOX-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.40
Rot. Bonds4

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

2-(1-ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine (PubChem CID 18420077) has the molecular formula C12H21N4O2+ and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(1-ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine
PubChem CID18420077
Molecular FormulaC12H21N4O2+
Molecular Weight253.33 g/mol
Exact Mass253.17
IUPAC Name2-(1-ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine
SMILESCC[N+]1(c2nc(OC)nc(OC)n2)CCCCC1
InChIInChI=1S/C12H21N4O2/c1-4-16(8-6-5-7-9-16)10-13-11(17-2)15-12(14-10)18-3/h4-9H2,1-3H3/q+1
InChIKeyAUJIACYOHKHSOX-UHFFFAOYSA-N
XLogP1.40
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1-ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-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-(1-ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-(1-ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine (CID 18420077) is 2-(1-ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-(1-ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-(1-ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine is CC[N+]1(c2nc(OC)nc(OC)n2)CCCCC1.
What is the InChIKey of 2-(1-ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is AUJIACYOHKHSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N4O2/c1-4-16(8-6-5-7-9-16)10-13-11(17-2)15-12(14-10)18-3/h4-9H2,1-3H3/q+1.
What are the key properties of 2-(1-ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine?
2-(1-ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 253.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 18420077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).