4-(Piperazin-1-yl)benzonitrile hydrochloride
TL;DR: 4-(Piperazin-1-yl)benzonitrile hydrochloride (CAS 116291-01-1) is a chemical compound with molecular formula C11H14ClN3 and molecular weight 223.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-piperazin-1-ylbenzonitrile;hydrochloride
Also Known As: 4-(Piperazin-1-yl)benzonitrile hydrochloride, 4-piperazin-1-ylbenzonitrile;hydrochloride, 1-(4-Cyanophenyl)piperazine HCl, 1-(4-CYANOPHENYL)-PIPERAZINE HYDROCHLORIDE, 98, 4-piperazin-1-ylbenzonitrile Hydrochloride
| Molecular Formula | C11H14ClN3 |
|---|---|
| Molecular Weight | 223.09 g/mol |
| LogP | 1.38968 |
| Topological Polar Surface Area | 39.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.08763 |
| Heavy Atoms | 15 |
| Complexity | 335.84583 |
Chemical Identifiers
| CAS Number | 116291-01-1 |
|---|---|
| SMILES | C1CN(CCN1)C2=CC=C(C=C2)C#N.Cl |
Product Overview
4-(Piperazin-1-yl)benzonitrile hydrochloride (CAS 116291-01-1), with molecular formula C11H14ClN3 and molecular weight 223.09 g/mol. IUPAC: 4-piperazin-1-ylbenzonitrile;hydrochloride.
Chemical Property Profile of 4-(Piperazin-1-yl)benzonitrile hydrochloride
Property Insights of 4-(Piperazin-1-yl)benzonitrile hydrochloride
The XLogP value of 1.38968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Piperazin-1-yl)benzonitrile hydrochloride. With a topological polar surface area (TPSA) of 39.06 Ų, 4-(Piperazin-1-yl)benzonitrile hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Piperazin-1-yl)benzonitrile hydrochloride 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
Frequently Asked Questions
What is the CAS number of 4-(Piperazin-1-yl)benzonitrile hydrochloride?
The CAS number of 4-(Piperazin-1-yl)benzonitrile hydrochloride is 116291-01-1.
What is the molecular formula of 4-(Piperazin-1-yl)benzonitrile hydrochloride?
The molecular formula of 4-(Piperazin-1-yl)benzonitrile hydrochloride is C11H14ClN3.
What is the molecular weight of 4-(Piperazin-1-yl)benzonitrile hydrochloride?
The molecular weight of 4-(Piperazin-1-yl)benzonitrile hydrochloride is 223.09 g/mol.
Where can I buy 4-(Piperazin-1-yl)benzonitrile hydrochloride?
You can request a quote for 4-(Piperazin-1-yl)benzonitrile hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Piperazin-1-yl)benzonitrile hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(Piperazin-1-yl)benzonitrile hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.