TL;DR: 1-[4-(Trifluoromethyl)benzyl]piperazine (CAS 107890-32-4) is a chemical compound with molecular formula C12H15F3N2 and molecular weight 244.11873 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
Also Known As: 1-[4-(Trifluoromethyl)benzyl]piperazine, Tilmicosin, 1-(4-(Trifluoromethyl)benzyl)piperazine, 1-{[4-(trifluoromethyl)phenyl]methyl}piperazine, 1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
| Molecular Formula | C12H15F3N2 |
| Molecular Weight | 244.11873 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.11873 Da |
| Heavy Atoms | 17 |
| Complexity | 228.0 |
| SMILES | C1CN(CCN1)CC2=CC=C(C=C2)C(F)(F)F |
| InChIKey | FAFAFWFQFVLXGF-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(Trifluoromethyl)benzyl]piperazine. With a topological polar surface area (TPSA) of 15.3 Ų, 1-[4-(Trifluoromethyl)benzyl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(Trifluoromethyl)benzyl]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-[4-(Trifluoromethyl)benzyl]piperazine is 107890-32-4.
The molecular formula of 1-[4-(Trifluoromethyl)benzyl]piperazine is C12H15F3N2.
The molecular weight of 1-[4-(Trifluoromethyl)benzyl]piperazine is 244.11873 g/mol.
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