![2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile structure](/static/products/3387/338754-05-5.webp)
2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile
TL;DR: 2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile (CAS 338754-05-5) is a chemical compound with molecular formula C14H18FN3 and molecular weight 247.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile
Also Known As: 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile, 2-[4-(4-fluorophenyl)piperazino]-2-methylpropanenitrile, 5E-088, 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-propanenitrile
| Molecular Formula | C14H18FN3 |
|---|---|
| Molecular Weight | 247.15 g/mol |
| LogP | 2.24988 |
| Topological Polar Surface Area | 30.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.14848 |
| Heavy Atoms | 18 |
| Complexity | 439.10205 |
Chemical Identifiers
| CAS Number | 338754-05-5 |
|---|---|
| SMILES | CC(C)(C#N)N1CCN(CC1)C2=CC=C(C=C2)F |
Product Overview
2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile (CAS 338754-05-5), with molecular formula C14H18FN3 and molecular weight 247.15 g/mol. IUPAC: 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile.
Chemical Property Profile of 2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile
Property Insights of 2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile
The XLogP value of 2.24988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile. With a topological polar surface area (TPSA) of 30.27 Ų, 2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile 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 2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile?
The CAS number of 2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile is 338754-05-5.
What is the molecular formula of 2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile?
The molecular formula of 2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile is C14H18FN3.
What is the molecular weight of 2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile?
The molecular weight of 2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile is 247.15 g/mol.
Where can I buy 2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile?
You can request a quote for 2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.