![4-[4-(4-Cyanophenyl)piperazin-1-yl]benzonitrile structure](/static/products/1017/101722-12-7.webp)
4-[4-(4-Cyanophenyl)piperazin-1-yl]benzonitrile
TL;DR: 4-[4-(4-Cyanophenyl)piperazin-1-yl]benzonitrile (CAS 101722-12-7) is a chemical compound with molecular formula C18H16N4 and molecular weight 288.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-cyanophenyl)piperazin-1-yl]benzonitrile
Also Known As: 4,4-piperazinediyl)bisbenzonitrile, 1,4-Bis[p-cyanophenyl]piperazine, 4-[4-(4-cyanophenyl)piperazin-1-yl]benzonitrile, 4,4'-(1,4-Piperazinediyl)bisbenzonitrile, 4,4'-(piperazine-1,4-diyl)dibenzonitrile
| Molecular Formula | C18H16N4 |
|---|---|
| Molecular Weight | 288.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.13748 |
| Heavy Atoms | 22 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 101722-12-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)C#N |
| InChIKey | RLQAJUVIPVAGHR-UHFFFAOYSA-N |
Product Overview
4-[4-(4-Cyanophenyl)piperazin-1-yl]benzonitrile (CAS 101722-12-7), with molecular formula C18H16N4 and molecular weight 288.14 g/mol. IUPAC: 4-[4-(4-cyanophenyl)piperazin-1-yl]benzonitrile.
Chemical Property Profile of 4-[4-(4-Cyanophenyl)piperazin-1-yl]benzonitrile
Property Insights of 4-[4-(4-Cyanophenyl)piperazin-1-yl]benzonitrile
The XLogP value of 3.1 indicates that 4-[4-(4-Cyanophenyl)piperazin-1-yl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.1 Ų, 4-[4-(4-Cyanophenyl)piperazin-1-yl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(4-Cyanophenyl)piperazin-1-yl]benzonitrile has 0 hydrogen bond donor(s) and 4 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-Cyanophenyl)piperazin-1-yl]benzonitrile?
The CAS number of 4-[4-(4-Cyanophenyl)piperazin-1-yl]benzonitrile is 101722-12-7.
What is the molecular formula of 4-[4-(4-Cyanophenyl)piperazin-1-yl]benzonitrile?
The molecular formula of 4-[4-(4-Cyanophenyl)piperazin-1-yl]benzonitrile is C18H16N4.
What is the molecular weight of 4-[4-(4-Cyanophenyl)piperazin-1-yl]benzonitrile?
The molecular weight of 4-[4-(4-Cyanophenyl)piperazin-1-yl]benzonitrile is 288.14 g/mol.
Where can I buy 4-[4-(4-Cyanophenyl)piperazin-1-yl]benzonitrile?
You can request a quote for 4-[4-(4-Cyanophenyl)piperazin-1-yl]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-Cyanophenyl)piperazin-1-yl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(4-Cyanophenyl)piperazin-1-yl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.