TL;DR: 1-[4-Nitro-3-(trifluoromethyl)phenyl]piperazine (CAS 153204-82-1) is a chemical compound with molecular formula C11H12F3N3O2 and molecular weight 275.08817 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-nitro-3-(trifluoromethyl)phenyl]piperazine
Also Known As: 1-[4-nitro-3-(trifluoromethyl)phenyl]piperazine, 1-(4-Nitro-3-trifluoromethylphenyl)-piperazine, 3,5-dibromo-2-hydrazino-1H-indole, 4760AD, 1-(4-Nitro-3-(trifluoromethyl)phenyl)piperazine
| Molecular Formula | C11H12F3N3O2 |
| Molecular Weight | 275.08817 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.08817 Da |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
| SMILES | C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F |
| InChIKey | GGXGAQDEUXECHQ-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-Nitro-3-(trifluoromethyl)phenyl]piperazine. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-Nitro-3-(trifluoromethyl)phenyl]piperazine. Following Lipinski's Rule of Five, 1-[4-Nitro-3-(trifluoromethyl)phenyl]piperazine 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 1-[4-Nitro-3-(trifluoromethyl)phenyl]piperazine is 153204-82-1.
The molecular formula of 1-[4-Nitro-3-(trifluoromethyl)phenyl]piperazine is C11H12F3N3O2.
The molecular weight of 1-[4-Nitro-3-(trifluoromethyl)phenyl]piperazine is 275.08817 g/mol.
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