TL;DR: Piperazine, 1-(4-aminobutyryl)-4-(2-quinolyl)-, maleate (CAS 101153-52-0) is a chemical compound with molecular formula C21H26N4O5 and molecular weight 414.1903 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one;(E)-but-2-enedioic acid
Also Known As: 1-(4-Aminobutyryl)-4-(2-quinolyl)piperazine maleate, Piperazine, 1-(4-aminobutyryl)-4-(2-quinolyl)-, maleate, Piperazine, 1-(4-amino-1-oxobutyl)-4-(2-quinolinyl)-, (Z)-2-butenedioate, 4-amino-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one,(E)-but-2-enedioic acid, 4-amino-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one; (E)-but-2-enedioic acid
| Molecular Formula | C21H26N4O5 |
| Molecular Weight | 414.1903 g/mol |
| XLogP | 1.3341 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.1903 Da |
| Heavy Atoms | 30 |
| Complexity | 487.0 |
| SMILES | C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C(=O)CCCN.C(=C/C(=O)O)\C(=O)O |
| InChIKey | JLZRLIMLKBNHHQ-WLHGVMLRSA-N |
The XLogP value of 1.3341 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-(4-aminobutyryl)-4-(2-quinolyl)-, maleate. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-(4-aminobutyryl)-4-(2-quinolyl)-, maleate. Following Lipinski's Rule of Five, Piperazine, 1-(4-aminobutyryl)-4-(2-quinolyl)-, maleate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperazine, 1-(4-aminobutyryl)-4-(2-quinolyl)-, maleate is 101153-52-0.
The molecular formula of Piperazine, 1-(4-aminobutyryl)-4-(2-quinolyl)-, maleate is C21H26N4O5.
The molecular weight of Piperazine, 1-(4-aminobutyryl)-4-(2-quinolyl)-, maleate is 414.1903 g/mol.
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