![4-[(4-(2-Pyridyl)piperazinyl)methyl]benzenecarbonitrile structure](/static/products/871/871807-40-8.png)
4-[(4-(2-Pyridyl)piperazinyl)methyl]benzenecarbonitrile
TL;DR: 4-[(4-(2-Pyridyl)piperazinyl)methyl]benzenecarbonitrile (CAS 871807-40-8) is a chemical compound with molecular formula C17H18N4 and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]benzonitrile
Also Known As: 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]benzonitrile, 4-[(4-(2-pyridyl)piperazinyl)methyl]benzenecarbonitrile, 4-{[4-(PYRIDIN-2-YL)PIPERAZIN-1-YL]METHYL}BENZONITRILE
| Molecular Formula | C17H18N4 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 2.27548 |
| Topological Polar Surface Area | 43.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.15314 |
| Heavy Atoms | 21 |
| Complexity | 607.4884 |
Chemical Identifiers
| CAS Number | 871807-40-8 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=C(C=C2)C#N)C3=CC=CC=N3 |
Product Overview
4-[(4-(2-Pyridyl)piperazinyl)methyl]benzenecarbonitrile (CAS 871807-40-8), with molecular formula C17H18N4 and molecular weight 278.15 g/mol. IUPAC: 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]benzonitrile.
Chemical Property Profile of 4-[(4-(2-Pyridyl)piperazinyl)methyl]benzenecarbonitrile
Property Insights of 4-[(4-(2-Pyridyl)piperazinyl)methyl]benzenecarbonitrile
The XLogP value of 2.27548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-(2-Pyridyl)piperazinyl)methyl]benzenecarbonitrile. With a topological polar surface area (TPSA) of 43.16 Ų, 4-[(4-(2-Pyridyl)piperazinyl)methyl]benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-(2-Pyridyl)piperazinyl)methyl]benzenecarbonitrile 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-(2-Pyridyl)piperazinyl)methyl]benzenecarbonitrile?
The CAS number of 4-[(4-(2-Pyridyl)piperazinyl)methyl]benzenecarbonitrile is 871807-40-8.
What is the molecular formula of 4-[(4-(2-Pyridyl)piperazinyl)methyl]benzenecarbonitrile?
The molecular formula of 4-[(4-(2-Pyridyl)piperazinyl)methyl]benzenecarbonitrile is C17H18N4.
What is the molecular weight of 4-[(4-(2-Pyridyl)piperazinyl)methyl]benzenecarbonitrile?
The molecular weight of 4-[(4-(2-Pyridyl)piperazinyl)methyl]benzenecarbonitrile is 278.15 g/mol.
Where can I buy 4-[(4-(2-Pyridyl)piperazinyl)methyl]benzenecarbonitrile?
You can request a quote for 4-[(4-(2-Pyridyl)piperazinyl)methyl]benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-(2-Pyridyl)piperazinyl)methyl]benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-(2-Pyridyl)piperazinyl)methyl]benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.