![3-[4-(3-Methylphenyl)piperazin-1-yl]propanenitrile structure](/static/products/7542/75426-48-1.webp)
3-[4-(3-Methylphenyl)piperazin-1-yl]propanenitrile
TL;DR: 3-[4-(3-Methylphenyl)piperazin-1-yl]propanenitrile (CAS 75426-48-1) is a chemical compound with molecular formula C14H19N3 and molecular weight 229.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-methylphenyl)piperazin-1-yl]propanenitrile
Also Known As: NCIOpen2_005259, 3-[4-(3-methylphenyl)piperazin-1-yl]propanenitrile, 3-(4-m-tolyl-piperazino)-propionitrile
| Molecular Formula | C14H19N3 |
|---|---|
| Molecular Weight | 229.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 30.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.1579 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 75426-48-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2CCN(CC2)CCC#N |
| InChIKey | RGNKZQPLZJEZLP-UHFFFAOYSA-N |
Product Overview
3-[4-(3-Methylphenyl)piperazin-1-yl]propanenitrile (CAS 75426-48-1), with molecular formula C14H19N3 and molecular weight 229.16 g/mol. IUPAC: 3-[4-(3-methylphenyl)piperazin-1-yl]propanenitrile.
Chemical Property Profile of 3-[4-(3-Methylphenyl)piperazin-1-yl]propanenitrile
Property Insights of 3-[4-(3-Methylphenyl)piperazin-1-yl]propanenitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(3-Methylphenyl)piperazin-1-yl]propanenitrile. With a topological polar surface area (TPSA) of 30.3 Ų, 3-[4-(3-Methylphenyl)piperazin-1-yl]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(3-Methylphenyl)piperazin-1-yl]propanenitrile 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 3-[4-(3-Methylphenyl)piperazin-1-yl]propanenitrile?
The CAS number of 3-[4-(3-Methylphenyl)piperazin-1-yl]propanenitrile is 75426-48-1.
What is the molecular formula of 3-[4-(3-Methylphenyl)piperazin-1-yl]propanenitrile?
The molecular formula of 3-[4-(3-Methylphenyl)piperazin-1-yl]propanenitrile is C14H19N3.
What is the molecular weight of 3-[4-(3-Methylphenyl)piperazin-1-yl]propanenitrile?
The molecular weight of 3-[4-(3-Methylphenyl)piperazin-1-yl]propanenitrile is 229.16 g/mol.
Where can I buy 3-[4-(3-Methylphenyl)piperazin-1-yl]propanenitrile?
You can request a quote for 3-[4-(3-Methylphenyl)piperazin-1-yl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(3-Methylphenyl)piperazin-1-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(3-Methylphenyl)piperazin-1-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.