![1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine structure](/static/products/4148/414876-84-9.webp)
1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
TL;DR: 1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine (CAS 414876-84-9) is a chemical compound with molecular formula C13H17F3N2 and molecular weight 258.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
Also Known As: 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
| Molecular Formula | C13H17F3N2 |
|---|---|
| Molecular Weight | 258.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.13437 |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 414876-84-9 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=CC=CC=C2C(F)(F)F |
| InChIKey | VQFFETHTMKZSKT-UHFFFAOYSA-N |
Product Overview
1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine (CAS 414876-84-9), with molecular formula C13H17F3N2 and molecular weight 258.13 g/mol. IUPAC: 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine.
Chemical Property Profile of 1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
Property Insights of 1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine. With a topological polar surface area (TPSA) of 6.5 Ų, 1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]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-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
The CAS number of 1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine is 414876-84-9.
What is the molecular formula of 1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
The molecular formula of 1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine is C13H17F3N2.
What is the molecular weight of 1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
The molecular weight of 1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine is 258.13 g/mol.
Where can I buy 1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
You can request a quote for 1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.