TL;DR: Piperidinium, 1,1'-(ethylenebis(oxyethylene))bis(1-ethyl-, diiodide (CAS 111562-23-3) is a chemical compound with molecular formula C20H42I2N2O2 and molecular weight 596.13354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethyl-1-[2-[2-[2-(1-ethylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium diiodide
Also Known As: 505 HC, Diiodoethylate de N,N'bis(piperidylethoxy)ethylene, Diiodoethylate de N,N'bis(piperidylethoxy)ethylene [French], Piperidinium, 1,1'-(ethylenebis(oxyethylene))bis(1-ethyl-, diiodide, 1,1'-(Ethylenebis(oxyethylene))bis(1-ethylpiperidinium iodide)
| Molecular Formula | C20H42I2N2O2 |
| Molecular Weight | 596.13354 g/mol |
| XLogP | -2.9312 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 596.13354 Da |
| Heavy Atoms | 26 |
| Complexity | 292.0 |
| SMILES | CC[N+]1(CCCCC1)CCOCCOCC[N+]2(CCCCC2)CC.[I-].[I-] |
| InChIKey | MBOWCLHZBQQHEN-UHFFFAOYSA-L |
The XLogP value of -2.9312 indicates that Piperidinium, 1,1'-(ethylenebis(oxyethylene))bis(1-ethyl-, 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-ethyl-, diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidinium, 1,1'-(ethylenebis(oxyethylene))bis(1-ethyl-, 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-ethyl-, diiodide is 111562-23-3.
The molecular formula of Piperidinium, 1,1'-(ethylenebis(oxyethylene))bis(1-ethyl-, diiodide is C20H42I2N2O2.
The molecular weight of Piperidinium, 1,1'-(ethylenebis(oxyethylene))bis(1-ethyl-, diiodide is 596.13354 g/mol.
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