![1-Benzyl-4-[(2-nitrophenyl)methyl]piperazine structure](/static/products/4148/414874-99-0.webp)
1-Benzyl-4-[(2-nitrophenyl)methyl]piperazine
TL;DR: 1-Benzyl-4-[(2-nitrophenyl)methyl]piperazine (CAS 414874-99-0) is a chemical compound with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-[(2-nitrophenyl)methyl]piperazine
Also Known As: 1-benzyl-4-(2-nitrobenzyl)piperazine, 1-benzyl-4-[(2-nitrophenyl)methyl]piperazine, AB00077185-01
| Molecular Formula | C18H21N3O2 |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | 2.9126 |
| Topological Polar Surface Area | 49.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.1634 |
| Heavy Atoms | 23 |
| Complexity | 652.3261 |
Chemical Identifiers
| CAS Number | 414874-99-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
1-Benzyl-4-[(2-nitrophenyl)methyl]piperazine (CAS 414874-99-0), with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol. IUPAC: 1-benzyl-4-[(2-nitrophenyl)methyl]piperazine.
Chemical Property Profile of 1-Benzyl-4-[(2-nitrophenyl)methyl]piperazine
Property Insights of 1-Benzyl-4-[(2-nitrophenyl)methyl]piperazine
The XLogP value of 2.9126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-4-[(2-nitrophenyl)methyl]piperazine. With a topological polar surface area (TPSA) of 49.62 Ų, 1-Benzyl-4-[(2-nitrophenyl)methyl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-[(2-nitrophenyl)methyl]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-Benzyl-4-[(2-nitrophenyl)methyl]piperazine?
The CAS number of 1-Benzyl-4-[(2-nitrophenyl)methyl]piperazine is 414874-99-0.
What is the molecular formula of 1-Benzyl-4-[(2-nitrophenyl)methyl]piperazine?
The molecular formula of 1-Benzyl-4-[(2-nitrophenyl)methyl]piperazine is C18H21N3O2.
What is the molecular weight of 1-Benzyl-4-[(2-nitrophenyl)methyl]piperazine?
The molecular weight of 1-Benzyl-4-[(2-nitrophenyl)methyl]piperazine is 311.16 g/mol.
Where can I buy 1-Benzyl-4-[(2-nitrophenyl)methyl]piperazine?
You can request a quote for 1-Benzyl-4-[(2-nitrophenyl)methyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4-[(2-nitrophenyl)methyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-[(2-nitrophenyl)methyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.