1-(3,5-Bis(trifluoromethyl)phenyl)piperazine
TL;DR: 1-(3,5-Bis(trifluoromethyl)phenyl)piperazine (CAS 1551177-88-8) is a chemical compound with molecular formula C12H12F6N2 and molecular weight 298.09045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3,5-bis(trifluoromethyl)phenyl]piperazine
Also Known As: 1-[3,5-bis(trifluoromethyl)phenyl]piperazine, 1-(3,5-Bistrifluoromethylphenyl)-piperazine, 1-(3,5-bistrifluoromethylphenyl)piperazine, 1-(3,5-bis(trifluoromethyl)phenyl)piperazine, KST-1B0799
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H12F6N2 |
| Molecular Weight | 298.09045 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.09045 Da |
| Heavy Atoms | 20 |
| Complexity | 299.0 |
| SMILES | C1CN(CCN1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
| InChIKey | KBJABLNQZCSKGE-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,5-Bis(trifluoromethyl)phenyl)piperazine
Property Insights of 1-(3,5-Bis(trifluoromethyl)phenyl)piperazine
The XLogP value of 3.2 indicates that 1-(3,5-Bis(trifluoromethyl)phenyl)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-(3,5-Bis(trifluoromethyl)phenyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-Bis(trifluoromethyl)phenyl)piperazine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3,5-Bis(trifluoromethyl)phenyl)piperazine?
The CAS number of 1-(3,5-Bis(trifluoromethyl)phenyl)piperazine is 1551177-88-8.
What is the molecular formula of 1-(3,5-Bis(trifluoromethyl)phenyl)piperazine?
The molecular formula of 1-(3,5-Bis(trifluoromethyl)phenyl)piperazine is C12H12F6N2.
What is the molecular weight of 1-(3,5-Bis(trifluoromethyl)phenyl)piperazine?
The molecular weight of 1-(3,5-Bis(trifluoromethyl)phenyl)piperazine is 298.09045 g/mol.
Where can I buy 1-(3,5-Bis(trifluoromethyl)phenyl)piperazine?
You can request a quote for 1-(3,5-Bis(trifluoromethyl)phenyl)piperazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,5-Bis(trifluoromethyl)phenyl)piperazine?
Yes, CoreyChem provides custom synthesis services for 1-(3,5-Bis(trifluoromethyl)phenyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.