TL;DR: 1-(3-Chloropropyl)-4-(2-methoxyphenyl)piperazine-1,4-diium;dichloride (CAS 123733-63-1) is a chemical compound with molecular formula C14H23Cl3N2O and molecular weight 340.0876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chloropropyl)-4-(2-methoxyphenyl)piperazine-1,4-diium dichloride
Also Known As: 1-(3-chloropropyl)-4-(2-methoxyphenyl)piperazine-1,4-diium;dichloride, 1-(3-chloropropyl)-4-(2-methoxyphenyl)piperazine-1,4-diium dichloride, 1-(3-chloropropyl)-4-(2-methoxyphenyl)-2,3,5,6-tetrahydropyrazine Dichloride
| Molecular Formula | C14H23Cl3N2O |
| Molecular Weight | 340.0876 g/mol |
| XLogP | -6.253 |
| Topological Polar Surface Area (TPSA) | 18.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.0876 Da |
| Heavy Atoms | 20 |
| Complexity | 232.0 |
| SMILES | COC1=CC=CC=C1[NH+]2CC[NH+](CC2)CCCCl.[Cl-].[Cl-] |
| InChIKey | KQEUKQRNKBUFTF-UHFFFAOYSA-N |
The XLogP value of -6.253 indicates that 1-(3-Chloropropyl)-4-(2-methoxyphenyl)piperazine-1,4-diium;dichloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 18.1 Ų, 1-(3-Chloropropyl)-4-(2-methoxyphenyl)piperazine-1,4-diium;dichloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloropropyl)-4-(2-methoxyphenyl)piperazine-1,4-diium;dichloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(3-Chloropropyl)-4-(2-methoxyphenyl)piperazine-1,4-diium;dichloride is 123733-63-1.
The molecular formula of 1-(3-Chloropropyl)-4-(2-methoxyphenyl)piperazine-1,4-diium;dichloride is C14H23Cl3N2O.
The molecular weight of 1-(3-Chloropropyl)-4-(2-methoxyphenyl)piperazine-1,4-diium;dichloride is 340.0876 g/mol.
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