1-methyl-1-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium

C18H38N2O2+2 — CID 3047763

IUPAC1-methyl-1-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium
SMILESC[N+]1(CCOCCOCC[N+]2(C)CCCCC2)CCCCC1
InChIInChI=1S/C18H38N2O2/c1-19(9-5-3-6-10-19)13-15-21-17-18-22-16-14-20(2)11-7-4-8-12-20/h3-18H2,1-2H3/q+2
InChIKeyACGKVDAZLYSQLL-UHFFFAOYSA-N
MW314.51 g/mol
LogP2.28
Rot. Bonds9

About 1-methyl-1-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium

1-methyl-1-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium (PubChem CID 3047763) has the molecular formula C18H38N2O2+2 and a molecular weight of 314.51 g/mol. Its IUPAC name is 1-methyl-1-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium.

Molecular Properties

Compound Name1-methyl-1-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium
PubChem CID3047763
Molecular FormulaC18H38N2O2+2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC Name1-methyl-1-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium
SMILESC[N+]1(CCOCCOCC[N+]2(C)CCCCC2)CCCCC1
InChIInChI=1S/C18H38N2O2/c1-19(9-5-3-6-10-19)13-15-21-17-18-22-16-14-20(2)11-7-4-8-12-20/h3-18H2,1-2H3/q+2
InChIKeyACGKVDAZLYSQLL-UHFFFAOYSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-1-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium 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 1-methyl-1-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium?
The IUPAC name of 1-methyl-1-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium (CID 3047763) is 1-methyl-1-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium.
What is the SMILES notation for 1-methyl-1-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium?
The canonical SMILES for 1-methyl-1-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium is C[N+]1(CCOCCOCC[N+]2(C)CCCCC2)CCCCC1.
What is the InChIKey of 1-methyl-1-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium?
The InChIKey is ACGKVDAZLYSQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2/c1-19(9-5-3-6-10-19)13-15-21-17-18-22-16-14-20(2)11-7-4-8-12-20/h3-18H2,1-2H3/q+2.
What are the key properties of 1-methyl-1-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium?
1-methyl-1-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium has a molecular weight of 314.51 g/mol, XLogP of 2.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium is sourced from PubChem (CID 3047763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).