![3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile structure](/static/products/6768/6768-22-5.webp)
3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile
TL;DR: 3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile (CAS 6768-22-5) is a chemical compound with molecular formula C17H25N3O and molecular weight 287.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]propanenitrile
Also Known As: 3-[3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]propanenitrile, 3-{3-[4-(2-methylphenyl)piperazin-1-yl]propoxy}propanenitrile, 3-[3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]propanenitril, Propanenitrile,3-[3-[4-(2-methylphenyl)-1-piperazinyl]propoxy]-
| Molecular Formula | C17H25N3O |
|---|---|
| Molecular Weight | 287.20 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 39.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 287.19977 |
| Heavy Atoms | 21 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 6768-22-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)CCCOCCC#N |
| InChIKey | FGMWZZYPMRCJQJ-UHFFFAOYSA-N |
Product Overview
3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile (CAS 6768-22-5), with molecular formula C17H25N3O and molecular weight 287.20 g/mol. IUPAC: 3-[3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]propanenitrile.
Chemical Property Profile of 3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile
Property Insights of 3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile. With a topological polar surface area (TPSA) of 39.5 Ų, 3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile 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 3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile?
The CAS number of 3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile is 6768-22-5.
What is the molecular formula of 3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile?
The molecular formula of 3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile is C17H25N3O.
What is the molecular weight of 3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile?
The molecular weight of 3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile is 287.20 g/mol.
Where can I buy 3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile?
You can request a quote for 3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.