1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium diiodide

C15H32I2N2 — CID 3048567

IUPAC1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium diiodide
SMILESC[N+]1(CCC[N+]2(C)CCCCC2)CCCCC1.[I-].[I-]
InChIInChI=1S/C15H32N2.2HI/c1-16(10-5-3-6-11-16)14-9-15-17(2)12-7-4-8-13-17;;/h3-15H2,1-2H3;2*1H/q+2;;/p-2
InChIKeyZCKYMTCEZUCVKI-UHFFFAOYSA-L
MW494.24 g/mol
LogP-3.35
Rot. Bonds4

About 1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium diiodide

1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium diiodide (PubChem CID 3048567) has the molecular formula C15H32I2N2 and a molecular weight of 494.24 g/mol. Its IUPAC name is 1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium diiodide.

Molecular Properties

Compound Name1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium diiodide
PubChem CID3048567
Molecular FormulaC15H32I2N2
Molecular Weight494.24 g/mol
Exact Mass494.07
IUPAC Name1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium diiodide
SMILESC[N+]1(CCC[N+]2(C)CCCCC2)CCCCC1.[I-].[I-]
InChIInChI=1S/C15H32N2.2HI/c1-16(10-5-3-6-11-16)14-9-15-17(2)12-7-4-8-13-17;;/h3-15H2,1-2H3;2*1H/q+2;;/p-2
InChIKeyZCKYMTCEZUCVKI-UHFFFAOYSA-L
XLogP-3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.24
LogP ≤ 5-3.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium diiodide?
The IUPAC name of 1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium diiodide (CID 3048567) is 1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium diiodide.
What is the SMILES notation for 1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium diiodide?
The canonical SMILES for 1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium diiodide is C[N+]1(CCC[N+]2(C)CCCCC2)CCCCC1.[I-].[I-].
What is the InChIKey of 1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium diiodide?
The InChIKey is ZCKYMTCEZUCVKI-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H32N2.2HI/c1-16(10-5-3-6-11-16)14-9-15-17(2)12-7-4-8-13-17;;/h3-15H2,1-2H3;2*1H/q+2;;/p-2.
What are the key properties of 1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium diiodide?
1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium diiodide has a molecular weight of 494.24 g/mol, XLogP of -3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium diiodide is sourced from PubChem (CID 3048567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).