![(4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone structure](/static/products/4626/462616-51-9.webp)
(4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone
TL;DR: (4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone (CAS 462616-51-9) is a chemical compound with molecular formula C14H19N3O3 and molecular weight 277.14264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-nitrophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
Also Known As: 1-{4-Nitrobenzoyl}, BAS 01376297, (4-Isopropylpiperazin-1-yl)(4-nitrophenyl)methanone, 1-{4-nitrobenzoyl}-4-isopropylpiperazine, 1-isopropyl-4-(4-nitrobenzoyl)piperazine
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H19N3O3 |
| Molecular Weight | 277.14264 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.14264 Da |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
| SMILES | CC(C)N1CCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | QWBHWBJUYFMXHS-UHFFFAOYSA-N |
Chemical Property Profile of (4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone
Property Insights of (4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone. Following Lipinski's Rule of Five, (4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone 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 (4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone?
The CAS number of (4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone is 462616-51-9.
What is the molecular formula of (4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone?
The molecular formula of (4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone is C14H19N3O3.
What is the molecular weight of (4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone?
The molecular weight of (4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone is 277.14264 g/mol.
Where can I buy (4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone?
You can request a quote for (4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone?
Yes, CoreyChem provides custom synthesis services for (4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.