TL;DR: 1-[Phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine (CAS 1536-18-1) is a chemical compound with molecular formula C18H19F3N2 and molecular weight 320.15002 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine
Also Known As: 1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine, 4-(4-trifluoromethylbenzhydryl)piperazine, Piperazine, 1-[phenyl[4-(trifluoromethyl)phenyl]methyl]-, 1-{phenyl[4-(trifluoromethyl)phenyl]methyl}piperazine, AB01304237-01
| Molecular Formula | C18H19F3N2 |
| Molecular Weight | 320.15002 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.15002 Da |
| Heavy Atoms | 23 |
| Complexity | 352.0 |
| SMILES | C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F |
| InChIKey | HLMJOIZGABPANJ-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 1-[Phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.3 Ų, 1-[Phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[Phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[Phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine is 1536-18-1.
The molecular formula of 1-[Phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine is C18H19F3N2.
The molecular weight of 1-[Phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine is 320.15002 g/mol.
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