![1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone structure](/static/products/1001/100138-76-9.webp)
1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone
TL;DR: 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone (CAS 100138-76-9) is a chemical compound with molecular formula C12H15N3O3 and molecular weight 249.11134 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
Also Known As: 1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone, 1-(4-(2-nitrophenyl)piperazin-1-yl)ethanone, 1-acetyl-4-{2-nitrophenyl}piperazine, 1-acetyl-4-(2-nitro-phenyl)-piperazine, 1-[4-(2-nitrophenyl)piperazin-1-yl]ethan-1-one
Technical Specifications
| Molecular Formula | C12H15N3O3 |
| Molecular Weight | 249.11134 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.11134 Da |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
| SMILES | CC(=O)N1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | LEDSXFUCNNKEDB-UHFFFAOYSA-N |
Chemical Property Profile of 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone
Property Insights of 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone. Following Lipinski's Rule of Five, 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone 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
What is the CAS number of 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone?
The CAS number of 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone is 100138-76-9.
What is the molecular formula of 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone?
The molecular formula of 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone is C12H15N3O3.
What is the molecular weight of 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone?
The molecular weight of 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone is 249.11134 g/mol.
Where can I buy 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone?
You can request a quote for 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone?
Yes, CoreyChem provides custom synthesis services for 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.