![2-[4-(3-Chlorophenyl)piperazin-1-yl]acetonitrile structure](/static/products/2517/25178-91-0.webp)
2-[4-(3-Chlorophenyl)piperazin-1-yl]acetonitrile
TL;DR: 2-[4-(3-Chlorophenyl)piperazin-1-yl]acetonitrile (CAS 25178-91-0) is a chemical compound with molecular formula C12H14ClN3 and molecular weight 235.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-chlorophenyl)piperazin-1-yl]acetonitrile
Also Known As: 2-[4-(3-chlorophenyl)piperazin-1-yl]acetonitrile, Maybridge3_007013, IDI1_018400, 1-Piperazineacetonitrile, 4-(3-chlorophenyl)-, [4-(3-chlorophenyl)piperazin-1-yl]acetonitrile
| Molecular Formula | C12H14ClN3 |
|---|---|
| Molecular Weight | 235.09 g/mol |
| LogP | 1.98558 |
| Topological Polar Surface Area | 30.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.08763 |
| Heavy Atoms | 16 |
| Complexity | 391.4955 |
Chemical Identifiers
| CAS Number | 25178-91-0 |
|---|---|
| SMILES | C1CN(CCN1CC#N)C2=CC(=CC=C2)Cl |
Product Overview
2-[4-(3-Chlorophenyl)piperazin-1-yl]acetonitrile (CAS 25178-91-0), with molecular formula C12H14ClN3 and molecular weight 235.09 g/mol. IUPAC: 2-[4-(3-chlorophenyl)piperazin-1-yl]acetonitrile.
Chemical Property Profile of 2-[4-(3-Chlorophenyl)piperazin-1-yl]acetonitrile
Property Insights of 2-[4-(3-Chlorophenyl)piperazin-1-yl]acetonitrile
The XLogP value of 1.98558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(3-Chlorophenyl)piperazin-1-yl]acetonitrile. With a topological polar surface area (TPSA) of 30.27 Ų, 2-[4-(3-Chlorophenyl)piperazin-1-yl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(3-Chlorophenyl)piperazin-1-yl]acetonitrile 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 2-[4-(3-Chlorophenyl)piperazin-1-yl]acetonitrile?
The CAS number of 2-[4-(3-Chlorophenyl)piperazin-1-yl]acetonitrile is 25178-91-0.
What is the molecular formula of 2-[4-(3-Chlorophenyl)piperazin-1-yl]acetonitrile?
The molecular formula of 2-[4-(3-Chlorophenyl)piperazin-1-yl]acetonitrile is C12H14ClN3.
What is the molecular weight of 2-[4-(3-Chlorophenyl)piperazin-1-yl]acetonitrile?
The molecular weight of 2-[4-(3-Chlorophenyl)piperazin-1-yl]acetonitrile is 235.09 g/mol.
Where can I buy 2-[4-(3-Chlorophenyl)piperazin-1-yl]acetonitrile?
You can request a quote for 2-[4-(3-Chlorophenyl)piperazin-1-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(3-Chlorophenyl)piperazin-1-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(3-Chlorophenyl)piperazin-1-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.