![3-{3-[4-(4-Methylphenyl)piperazin-1-yl]propoxy}propanenitrile structure](/static/products/6767/67679-66-7.webp)
3-{3-[4-(4-Methylphenyl)piperazin-1-yl]propoxy}propanenitrile
TL;DR: 3-{3-[4-(4-Methylphenyl)piperazin-1-yl]propoxy}propanenitrile (CAS 67679-66-7) 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-(4-methylphenyl)piperazin-1-yl]propoxy]propanenitrile
Also Known As: 3-{3-[4-(4-methylphenyl)piperazin-1-yl]propoxy}propanenitrile, 3-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]propanenitrile, 3-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]propanenitril
| Molecular Formula | C17H25N3O |
|---|---|
| Molecular Weight | 287.20 g/mol |
| LogP | 2.1 |
| 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 | 322.0 |
Chemical Identifiers
| CAS Number | 67679-66-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CCN(CC2)CCCOCCC#N |
| InChIKey | OIGGWSGFQUETBF-UHFFFAOYSA-N |
Product Overview
3-{3-[4-(4-Methylphenyl)piperazin-1-yl]propoxy}propanenitrile (CAS 67679-66-7), with molecular formula C17H25N3O and molecular weight 287.20 g/mol. IUPAC: 3-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]propanenitrile.
Chemical Property Profile of 3-{3-[4-(4-Methylphenyl)piperazin-1-yl]propoxy}propanenitrile
Property Insights of 3-{3-[4-(4-Methylphenyl)piperazin-1-yl]propoxy}propanenitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{3-[4-(4-Methylphenyl)piperazin-1-yl]propoxy}propanenitrile. With a topological polar surface area (TPSA) of 39.5 Ų, 3-{3-[4-(4-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-(4-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-(4-Methylphenyl)piperazin-1-yl]propoxy}propanenitrile?
The CAS number of 3-{3-[4-(4-Methylphenyl)piperazin-1-yl]propoxy}propanenitrile is 67679-66-7.
What is the molecular formula of 3-{3-[4-(4-Methylphenyl)piperazin-1-yl]propoxy}propanenitrile?
The molecular formula of 3-{3-[4-(4-Methylphenyl)piperazin-1-yl]propoxy}propanenitrile is C17H25N3O.
What is the molecular weight of 3-{3-[4-(4-Methylphenyl)piperazin-1-yl]propoxy}propanenitrile?
The molecular weight of 3-{3-[4-(4-Methylphenyl)piperazin-1-yl]propoxy}propanenitrile is 287.20 g/mol.
Where can I buy 3-{3-[4-(4-Methylphenyl)piperazin-1-yl]propoxy}propanenitrile?
You can request a quote for 3-{3-[4-(4-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-(4-Methylphenyl)piperazin-1-yl]propoxy}propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-[4-(4-Methylphenyl)piperazin-1-yl]propoxy}propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.