1-Benzyl-4-(2-trifluoromethyl-benzyl)-piperazine
TL;DR: 1-Benzyl-4-(2-trifluoromethyl-benzyl)-piperazine (CAS 331855-81-3) is a chemical compound with molecular formula C19H21F3N2 and molecular weight 334.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
Also Known As: BAS 00638897, 1-benzyl-4-[2-(trifluoromethyl)benzyl]piperazine, 1-Benzyl-4-(2-trifluoromethyl-benzyl)-piperazine, 1-benzyl-4-(2-(trifluoromethyl)benzyl)piperazine, 1-benzyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
| Molecular Formula | C19H21F3N2 |
|---|---|
| Molecular Weight | 334.17 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.16568 |
| Heavy Atoms | 24 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 331855-81-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3C(F)(F)F |
| InChIKey | KQEROGTWFRPRET-UHFFFAOYSA-N |
Product Overview
1-Benzyl-4-(2-trifluoromethyl-benzyl)-piperazine (CAS 331855-81-3), with molecular formula C19H21F3N2 and molecular weight 334.17 g/mol. IUPAC: 1-benzyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine.
Chemical Property Profile of 1-Benzyl-4-(2-trifluoromethyl-benzyl)-piperazine
Property Insights of 1-Benzyl-4-(2-trifluoromethyl-benzyl)-piperazine
The XLogP value of 3.9 indicates that 1-Benzyl-4-(2-trifluoromethyl-benzyl)-piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, 1-Benzyl-4-(2-trifluoromethyl-benzyl)-piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-(2-trifluoromethyl-benzyl)-piperazine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzyl-4-(2-trifluoromethyl-benzyl)-piperazine?
The CAS number of 1-Benzyl-4-(2-trifluoromethyl-benzyl)-piperazine is 331855-81-3.
What is the molecular formula of 1-Benzyl-4-(2-trifluoromethyl-benzyl)-piperazine?
The molecular formula of 1-Benzyl-4-(2-trifluoromethyl-benzyl)-piperazine is C19H21F3N2.
What is the molecular weight of 1-Benzyl-4-(2-trifluoromethyl-benzyl)-piperazine?
The molecular weight of 1-Benzyl-4-(2-trifluoromethyl-benzyl)-piperazine is 334.17 g/mol.
Where can I buy 1-Benzyl-4-(2-trifluoromethyl-benzyl)-piperazine?
You can request a quote for 1-Benzyl-4-(2-trifluoromethyl-benzyl)-piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4-(2-trifluoromethyl-benzyl)-piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-(2-trifluoromethyl-benzyl)-piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.