1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodide
TL;DR: 1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodide (CAS 61015-32-5) is a chemical compound with molecular formula C15H22IN3 and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-methyl-4-(2-methylphenyl)piperazin-1-ium-1-yl]propanenitrile iodide
Also Known As: 1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazinium iodide, Piperazinium, 1-(2-cyanoethyl)-1-methyl-4-(2-methylphenyl)-, iodide, 1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodide, 3-[1-methyl-4-(2-methylphenyl)piperazin-1-ium-1-yl]propanenitrile iodide, RefChem:1053952
| Molecular Formula | C15H22IN3 |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | -0.8207 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.08585 |
| Heavy Atoms | 19 |
| Complexity | 444.94907 |
Chemical Identifiers
| CAS Number | 61015-32-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CC[N+](CC2)(C)CCC#N.[I-] |
Product Overview
1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodide (CAS 61015-32-5), with molecular formula C15H22IN3 and molecular weight 371.09 g/mol. IUPAC: 3-[1-methyl-4-(2-methylphenyl)piperazin-1-ium-1-yl]propanenitrile iodide.
Chemical Property Profile of 1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodide
Property Insights of 1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodide
The XLogP value of -0.8207 indicates that 1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.03 Ų, 1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodide has 0 hydrogen bond donor(s) and 2 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 1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodide?
The CAS number of 1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodide is 61015-32-5.
What is the molecular formula of 1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodide?
The molecular formula of 1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodide is C15H22IN3.
What is the molecular weight of 1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodide?
The molecular weight of 1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodide is 371.09 g/mol.
Where can I buy 1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodide?
You can request a quote for 1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.