TL;DR: Piperazine, 1-(3-amino-4-quinolyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)- (CAS 16122-20-6) is a chemical compound with molecular formula C20H19F3N4 and molecular weight 372.1562 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-3-amine
Also Known As: 5-23-03-00098 (Beilstein Handbook Reference), Piperazine, 1-(3-amino-4-quinolyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, 1-(3-Amino-4-quinolyl)-4-(m-trifluoromethylphenyl)piperazine, 4-(m-Trifluoromethylphenyl)-1-(3-amino-4-quinolyl)piperazine, 4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinolin-3-amine
| Molecular Formula | C20H19F3N4 |
| Molecular Weight | 372.1562 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 45.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.1562 Da |
| Heavy Atoms | 27 |
| Complexity | 492.0 |
| SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=C(C=NC4=CC=CC=C43)N |
| InChIKey | KKDRCMWFCKLADH-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that Piperazine, 1-(3-amino-4-quinolyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.4 Ų, Piperazine, 1-(3-amino-4-quinolyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-(3-amino-4-quinolyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)- has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperazine, 1-(3-amino-4-quinolyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)- is 16122-20-6.
The molecular formula of Piperazine, 1-(3-amino-4-quinolyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)- is C20H19F3N4.
The molecular weight of Piperazine, 1-(3-amino-4-quinolyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)- is 372.1562 g/mol.
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