![4-[2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile structure](/static/products/924/924069-79-4.webp)
4-[2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile
TL;DR: 4-[2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile (CAS 924069-79-4) is a chemical compound with molecular formula C21H21N3O4 and molecular weight 379.1532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile
Also Known As: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile, 4-(2-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-oxoethoxy)benzonitrile, 4-[2-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile, H55814
Technical Specifications
| Molecular Formula | C21H21N3O4 |
| Molecular Weight | 379.1532 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 75.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.1532 Da |
| Heavy Atoms | 28 |
| Complexity | 575.0 |
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)C#N |
| InChIKey | QCEFSYCYGIACAD-UHFFFAOYSA-N |
Chemical Property Profile of 4-[2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile
Property Insights of 4-[2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile. Following Lipinski's Rule of Five, 4-[2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-[2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile?
The CAS number of 4-[2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile is 924069-79-4.
What is the molecular formula of 4-[2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile?
The molecular formula of 4-[2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile is C21H21N3O4.
What is the molecular weight of 4-[2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile?
The molecular weight of 4-[2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile is 379.1532 g/mol.
Where can I buy 4-[2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile?
You can request a quote for 4-[2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-[2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.