TL;DR: 1-[2-(Trifluoromethyl)phenethyl]piperazine (CAS 141929-43-3) is a chemical compound with molecular formula C13H17F3N2 and molecular weight 258.13437 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine
Also Known As: 1-[2-(trifluoromethyl)phenethyl]piperazine, 1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine, 1-{2-[2-(trifluoromethyl)phenyl]ethyl}piperazine, 1,3-Benzenediamine,diethyl-2-methyl, 4(2-trifluoromethylphenethyl) piperazine
| Molecular Formula | C13H17F3N2 |
| Molecular Weight | 258.13437 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.13437 Da |
| Heavy Atoms | 18 |
| Complexity | 249.0 |
| SMILES | C1CN(CCN1)CCC2=CC=CC=C2C(F)(F)F |
| InChIKey | PQDBRNHOQMVKBC-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(Trifluoromethyl)phenethyl]piperazine. With a topological polar surface area (TPSA) of 15.3 Ų, 1-[2-(Trifluoromethyl)phenethyl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(Trifluoromethyl)phenethyl]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-[2-(Trifluoromethyl)phenethyl]piperazine is 141929-43-3.
The molecular formula of 1-[2-(Trifluoromethyl)phenethyl]piperazine is C13H17F3N2.
The molecular weight of 1-[2-(Trifluoromethyl)phenethyl]piperazine is 258.13437 g/mol.
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