TL;DR: Quinoline, 2-(2-(4-(2,4-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride (CAS 126921-27-5) is a chemical compound with molecular formula C23H29Cl2N3 and molecular weight 417.17386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]quinoline;dihydrochloride
Also Known As: Quinoline, 2-(2-(4-(2,4-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride, 2-(2-(4-(2,4-Dimethylphenyl)-1-piperazinyl)ethyl)quinoline dihydrochloride, 2-(2-(4-(2,4-dimethylphenyl)-(piperazin-1-yl))ethyl)quinoline dihydrochloride, 2-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]quinoline dihydrochloride, 2-{2-[4-(2,4-Dimethylphenyl)piperazin-1-yl]ethyl}quinoline--hydrogen chloride (1/2)
| Molecular Formula | C23H29Cl2N3 |
| Molecular Weight | 417.17386 g/mol |
| XLogP | 5.05994 |
| Topological Polar Surface Area (TPSA) | 19.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.17386 Da |
| Heavy Atoms | 28 |
| Complexity | 431.0 |
| SMILES | CC1=CC(=C(C=C1)N2CCN(CC2)CCC3=NC4=CC=CC=C4C=C3)C.Cl.Cl |
| InChIKey | XRYMKSBUDWCHCX-UHFFFAOYSA-N |
The XLogP value of 5.05994 indicates that Quinoline, 2-(2-(4-(2,4-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.4 Ų, Quinoline, 2-(2-(4-(2,4-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinoline, 2-(2-(4-(2,4-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Quinoline, 2-(2-(4-(2,4-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride is 126921-27-5.
The molecular formula of Quinoline, 2-(2-(4-(2,4-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride is C23H29Cl2N3.
The molecular weight of Quinoline, 2-(2-(4-(2,4-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride is 417.17386 g/mol.
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