1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium diiodide

C22H46I2N2 — CID 3048053

IUPAC1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium diiodide
SMILESC[N+]1(CCCCCCCCCC[N+]2(C)CCCCC2)CCCCC1.[I-].[I-]
InChIInChI=1S/C22H46N2.2HI/c1-23(19-13-9-14-20-23)17-11-7-5-3-4-6-8-12-18-24(2)21-15-10-16-22-24;;/h3-22H2,1-2H3;2*1H/q+2;;/p-2
InChIKeyNASQQMSTSLFMPB-UHFFFAOYSA-L
MW592.43 g/mol
LogP-0.62
Rot. Bonds11

About 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium diiodide

1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium diiodide (PubChem CID 3048053) has the molecular formula C22H46I2N2 and a molecular weight of 592.43 g/mol. Its IUPAC name is 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium diiodide.

Molecular Properties

Compound Name1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium diiodide
PubChem CID3048053
Molecular FormulaC22H46I2N2
Molecular Weight592.43 g/mol
Exact Mass592.18
IUPAC Name1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium diiodide
SMILESC[N+]1(CCCCCCCCCC[N+]2(C)CCCCC2)CCCCC1.[I-].[I-]
InChIInChI=1S/C22H46N2.2HI/c1-23(19-13-9-14-20-23)17-11-7-5-3-4-6-8-12-18-24(2)21-15-10-16-22-24;;/h3-22H2,1-2H3;2*1H/q+2;;/p-2
InChIKeyNASQQMSTSLFMPB-UHFFFAOYSA-L
XLogP-0.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.43
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium diiodide 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-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium diiodide?
The IUPAC name of 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium diiodide (CID 3048053) is 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium diiodide.
What is the SMILES notation for 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium diiodide?
The canonical SMILES for 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium diiodide is C[N+]1(CCCCCCCCCC[N+]2(C)CCCCC2)CCCCC1.[I-].[I-].
What is the InChIKey of 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium diiodide?
The InChIKey is NASQQMSTSLFMPB-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H46N2.2HI/c1-23(19-13-9-14-20-23)17-11-7-5-3-4-6-8-12-18-24(2)21-15-10-16-22-24;;/h3-22H2,1-2H3;2*1H/q+2;;/p-2.
What are the key properties of 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium diiodide?
1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium diiodide has a molecular weight of 592.43 g/mol, XLogP of -0.62, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium diiodide is sourced from PubChem (CID 3048053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).