1-methyl-1-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium

C18H38N2+2 — CID 3048300

IUPAC1-methyl-1-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium
SMILESC[N+]1(CCCCCC[N+]2(C)CCCCC2)CCCCC1
InChIInChI=1S/C18H38N2/c1-19(15-9-5-10-16-19)13-7-3-4-8-14-20(2)17-11-6-12-18-20/h3-18H2,1-2H3/q+2
InChIKeySHVYPTOWNDGXEG-UHFFFAOYSA-N
MW282.52 g/mol
LogP3.81
Rot. Bonds7

About 1-methyl-1-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium

1-methyl-1-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium (PubChem CID 3048300) has the molecular formula C18H38N2+2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-methyl-1-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium.

Molecular Properties

Compound Name1-methyl-1-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium
PubChem CID3048300
Molecular FormulaC18H38N2+2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-methyl-1-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium
SMILESC[N+]1(CCCCCC[N+]2(C)CCCCC2)CCCCC1
InChIInChI=1S/C18H38N2/c1-19(15-9-5-10-16-19)13-7-3-4-8-14-20(2)17-11-6-12-18-20/h3-18H2,1-2H3/q+2
InChIKeySHVYPTOWNDGXEG-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]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-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium?
The IUPAC name of 1-methyl-1-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium (CID 3048300) is 1-methyl-1-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium.
What is the SMILES notation for 1-methyl-1-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium?
The canonical SMILES for 1-methyl-1-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium is C[N+]1(CCCCCC[N+]2(C)CCCCC2)CCCCC1.
What is the InChIKey of 1-methyl-1-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium?
The InChIKey is SHVYPTOWNDGXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-19(15-9-5-10-16-19)13-7-3-4-8-14-20(2)17-11-6-12-18-20/h3-18H2,1-2H3/q+2.
What are the key properties of 1-methyl-1-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium?
1-methyl-1-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium has a molecular weight of 282.52 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium is sourced from PubChem (CID 3048300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).