![4-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}benzonitrile structure](/static/products/923/923736-51-0.png)
4-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}benzonitrile
TL;DR: 4-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}benzonitrile (CAS 923736-51-0) is a chemical compound with molecular formula C18H18FN3 and molecular weight 295.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzonitrile
Also Known As: 4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}benzonitrile, 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzonitrile
| Molecular Formula | C18H18FN3 |
|---|---|
| Molecular Weight | 295.15 g/mol |
| LogP | 3.01958 |
| Topological Polar Surface Area | 30.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.14847 |
| Heavy Atoms | 22 |
| Complexity | 650.2268 |
Chemical Identifiers
| CAS Number | 923736-51-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)F |
Product Overview
4-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}benzonitrile (CAS 923736-51-0), with molecular formula C18H18FN3 and molecular weight 295.15 g/mol. IUPAC: 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzonitrile.
Chemical Property Profile of 4-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}benzonitrile
Property Insights of 4-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}benzonitrile
The XLogP value of 3.01958 indicates that 4-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.27 Ų, 4-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}benzonitrile 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-(4-Fluorophenyl)piperazin-1-yl]methyl}benzonitrile?
The CAS number of 4-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}benzonitrile is 923736-51-0.
What is the molecular formula of 4-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}benzonitrile?
The molecular formula of 4-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}benzonitrile is C18H18FN3.
What is the molecular weight of 4-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}benzonitrile?
The molecular weight of 4-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}benzonitrile is 295.15 g/mol.
Where can I buy 4-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}benzonitrile?
You can request a quote for 4-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.