TL;DR: 1-Ethyl-1-octylpiperazin-1-ium chloride (CAS 109043-14-3) is a chemical compound with molecular formula C14H31ClN2 and molecular weight 262.2176 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethyl-1-octylpiperazin-1-ium chloride
Also Known As: 1-Ethyl-1-octylpiperazinium chloride, Piperazinium, 1-ethyl-1-octyl-, chloride, 1-ethyl-1-octylpiperazin-1-ium chloride
| Molecular Formula | C14H31ClN2 |
| Molecular Weight | 262.2176 g/mol |
| XLogP | -0.2092 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 262.2176 Da |
| Heavy Atoms | 17 |
| Complexity | 162.0 |
| SMILES | CCCCCCCC[N+]1(CCNCC1)CC.[Cl-] |
| InChIKey | GOWQLDZDZAIJLI-UHFFFAOYSA-M |
The XLogP value of -0.2092 indicates that 1-Ethyl-1-octylpiperazin-1-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 12.0 Ų, 1-Ethyl-1-octylpiperazin-1-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-1-octylpiperazin-1-ium chloride has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Ethyl-1-octylpiperazin-1-ium chloride is 109043-14-3.
The molecular formula of 1-Ethyl-1-octylpiperazin-1-ium chloride is C14H31ClN2.
The molecular weight of 1-Ethyl-1-octylpiperazin-1-ium chloride is 262.2176 g/mol.
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