![{4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile structure](/static/products/724/724436-33-3.png)
{4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile
TL;DR: {4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile (CAS 724436-33-3) is a chemical compound with molecular formula C13H14F3N3 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetonitrile
Also Known As: {4-[4-(trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile, AP-685/41280780, 2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetonitrile
| Molecular Formula | C13H14F3N3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 2.35098 |
| Topological Polar Surface Area | 30.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.11398 |
| Heavy Atoms | 19 |
| Complexity | 453.50717 |
Chemical Identifiers
| CAS Number | 724436-33-3 |
|---|---|
| SMILES | C1CN(CCN1CC#N)C2=CC=C(C=C2)C(F)(F)F |
Product Overview
{4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile (CAS 724436-33-3), with molecular formula C13H14F3N3 and molecular weight 269.11 g/mol. IUPAC: 2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetonitrile.
Chemical Property Profile of {4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile
Property Insights of {4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile
The XLogP value of 2.35098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile. With a topological polar surface area (TPSA) of 30.27 Ų, {4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile has 0 hydrogen bond donor(s) and 3 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 {4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile?
The CAS number of {4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile is 724436-33-3.
What is the molecular formula of {4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile?
The molecular formula of {4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile is C13H14F3N3.
What is the molecular weight of {4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile?
The molecular weight of {4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile is 269.11 g/mol.
Where can I buy {4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile?
You can request a quote for {4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for {4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.