4-(Piperazin-1-yl)benzonitrile
TL;DR: 4-(Piperazin-1-yl)benzonitrile (CAS 111373-03-6) is a chemical compound with molecular formula C11H13N3 and molecular weight 187.11095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-piperazin-1-ylbenzonitrile
Also Known As: 4-(piperazin-1-yl)benzonitrile, 4-Piperazinobenzonitrile, 1-(4-Cyanophenyl)piperazine, 4-piperazin-1-ylbenzonitrile, 4-(1-Piperazinyl)benzonitrile
Technical Specifications
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.11095 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 39.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.11095 Da |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
| SMILES | C1CN(CCN1)C2=CC=C(C=C2)C#N |
| InChIKey | DJJNYEXRPRQXPD-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Piperazin-1-yl)benzonitrile
Property Insights of 4-(Piperazin-1-yl)benzonitrile
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Piperazin-1-yl)benzonitrile. With a topological polar surface area (TPSA) of 39.1 Ų, 4-(Piperazin-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Piperazin-1-yl)benzonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(Piperazin-1-yl)benzonitrile?
The CAS number of 4-(Piperazin-1-yl)benzonitrile is 111373-03-6.
What is the molecular formula of 4-(Piperazin-1-yl)benzonitrile?
The molecular formula of 4-(Piperazin-1-yl)benzonitrile is C11H13N3.
What is the molecular weight of 4-(Piperazin-1-yl)benzonitrile?
The molecular weight of 4-(Piperazin-1-yl)benzonitrile is 187.11095 g/mol.
Where can I buy 4-(Piperazin-1-yl)benzonitrile?
You can request a quote for 4-(Piperazin-1-yl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Piperazin-1-yl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(Piperazin-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.