1-Methyl-4-(4-nitrobenzyl)piperazine
TL;DR: 1-Methyl-4-(4-nitrobenzyl)piperazine (CAS 70261-81-3) is a chemical compound with molecular formula C12H17N3O2 and molecular weight 235.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[(4-nitrophenyl)methyl]piperazine
Also Known As: 1-METHYL-4-(4-NITROBENZYL)PIPERAZINE, 1-methyl-4-[(4-nitrophenyl)methyl]piperazine, 1-(4-nitrobenzyl)-4-methylpiperazine, 1-METHYL-4- PIPERAZINE, 1-methyl-4-(4-nitro-benzyl)-piperazine
| Molecular Formula | C12H17N3O2 |
|---|---|
| Molecular Weight | 235.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.13208 |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 70261-81-3 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | TZZWNVPIAQKNTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-4-(4-nitrobenzyl)piperazine (CAS 70261-81-3), with molecular formula C12H17N3O2 and molecular weight 235.13 g/mol. IUPAC: 1-methyl-4-[(4-nitrophenyl)methyl]piperazine.
Chemical Property Profile of 1-Methyl-4-(4-nitrobenzyl)piperazine
Property Insights of 1-Methyl-4-(4-nitrobenzyl)piperazine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-(4-nitrobenzyl)piperazine. With a topological polar surface area (TPSA) of 52.3 Ų, 1-Methyl-4-(4-nitrobenzyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-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
Frequently Asked Questions
What is the CAS number of 1-Methyl-4-(4-nitrobenzyl)piperazine?
The CAS number of 1-Methyl-4-(4-nitrobenzyl)piperazine is 70261-81-3.
What is the molecular formula of 1-Methyl-4-(4-nitrobenzyl)piperazine?
The molecular formula of 1-Methyl-4-(4-nitrobenzyl)piperazine is C12H17N3O2.
What is the molecular weight of 1-Methyl-4-(4-nitrobenzyl)piperazine?
The molecular weight of 1-Methyl-4-(4-nitrobenzyl)piperazine is 235.13 g/mol.
Where can I buy 1-Methyl-4-(4-nitrobenzyl)piperazine?
You can request a quote for 1-Methyl-4-(4-nitrobenzyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-(4-nitrobenzyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-(4-nitrobenzyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.