1-Benzyl-4-(4-nitrobenzyl)piperazine
TL;DR: 1-Benzyl-4-(4-nitrobenzyl)piperazine (CAS 148120-37-0) is a chemical compound with molecular formula C18H21N3O2 and molecular weight 311.1634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-4-[(4-nitrophenyl)methyl]piperazine
Also Known As: 1-Benzyl-4-(4-nitrobenzyl)piperazine, 1-benzyl-4-[(4-nitrophenyl)methyl]piperazine, 4-(4-benzylpiperazinomethyl)-nitrobenzene, 4CH-009309, Piperazine,1-[(4-nitrophenyl)methyl]-4-(phenylmethyl)-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H21N3O2 |
| Molecular Weight | 311.1634 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.1634 Da |
| Heavy Atoms | 23 |
| Complexity | 363.0 |
| SMILES | C1CN(CCN1CC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | JSPBNJMOQJJJJH-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzyl-4-(4-nitrobenzyl)piperazine
Property Insights of 1-Benzyl-4-(4-nitrobenzyl)piperazine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-4-(4-nitrobenzyl)piperazine. With a topological polar surface area (TPSA) of 52.3 Ų, 1-Benzyl-4-(4-nitrobenzyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-(4-nitrobenzyl)piperazine 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-Benzyl-4-(4-nitrobenzyl)piperazine?
The CAS number of 1-Benzyl-4-(4-nitrobenzyl)piperazine is 148120-37-0.
What is the molecular formula of 1-Benzyl-4-(4-nitrobenzyl)piperazine?
The molecular formula of 1-Benzyl-4-(4-nitrobenzyl)piperazine is C18H21N3O2.
What is the molecular weight of 1-Benzyl-4-(4-nitrobenzyl)piperazine?
The molecular weight of 1-Benzyl-4-(4-nitrobenzyl)piperazine is 311.1634 g/mol.
Where can I buy 1-Benzyl-4-(4-nitrobenzyl)piperazine?
You can request a quote for 1-Benzyl-4-(4-nitrobenzyl)piperazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzyl-4-(4-nitrobenzyl)piperazine?
Yes, CoreyChem provides custom synthesis services for 1-Benzyl-4-(4-nitrobenzyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.