TL;DR: Piperidinium, 1,1'-(ethylenebis(oxyethylene))bis(1-methyl-, diiodide (CAS 111588-20-6) is a chemical compound with molecular formula C18H38I2N2O2 and molecular weight 568.1023 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-1-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium diiodide
Also Known As: 504 HC, Diiodomethylate de N,N'bis(piperidylethoxy)ethylene, 1,1'-(Ethylenebis(oxyethylene))bis(1-methylpiperidinium iodide), Diiodomethylate de N,N'bis(piperidylethoxy)ethylene [French], Piperidinium, 1,1'-(ethylenebis(oxyethylene))bis(1-methyl-, diiodide
| Molecular Formula | C18H38I2N2O2 |
| Molecular Weight | 568.1023 g/mol |
| XLogP | -3.7114 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 568.1023 Da |
| Heavy Atoms | 24 |
| Complexity | 267.0 |
| SMILES | C[N+]1(CCCCC1)CCOCCOCC[N+]2(CCCCC2)C.[I-].[I-] |
| InChIKey | VTOYPPBWXHVFGZ-UHFFFAOYSA-L |
The XLogP value of -3.7114 indicates that Piperidinium, 1,1'-(ethylenebis(oxyethylene))bis(1-methyl-, diiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 18.5 Ų, Piperidinium, 1,1'-(ethylenebis(oxyethylene))bis(1-methyl-, diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidinium, 1,1'-(ethylenebis(oxyethylene))bis(1-methyl-, diiodide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Piperidinium, 1,1'-(ethylenebis(oxyethylene))bis(1-methyl-, diiodide is 111588-20-6.
The molecular formula of Piperidinium, 1,1'-(ethylenebis(oxyethylene))bis(1-methyl-, diiodide is C18H38I2N2O2.
The molecular weight of Piperidinium, 1,1'-(ethylenebis(oxyethylene))bis(1-methyl-, diiodide is 568.1023 g/mol.
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