![1-[2-(4-Nitrophenoxy)ethyl]piperazine structure](/static/products/4098/40986-91-2.webp)
1-[2-(4-Nitrophenoxy)ethyl]piperazine
TL;DR: 1-[2-(4-Nitrophenoxy)ethyl]piperazine (CAS 40986-91-2) is a chemical compound with molecular formula C12H17N3O3 and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-nitrophenoxy)ethyl]piperazine
Also Known As: 1-[2-(4-nitrophenoxy)ethyl]piperazine, 1-(2-(4-nitrophenoxy)ethyl)piperazine, N-[2-(4'-nitrophenoxy)-ethyl]-piperazine
| Molecular Formula | C12H17N3O3 |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 0.8788 |
| Topological Polar Surface Area | 67.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.127 |
| Heavy Atoms | 18 |
| Complexity | 388.05905 |
Chemical Identifiers
| CAS Number | 40986-91-2 |
|---|---|
| SMILES | C1CN(CCN1)CCOC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-[2-(4-Nitrophenoxy)ethyl]piperazine (CAS 40986-91-2), with molecular formula C12H17N3O3 and molecular weight 251.13 g/mol. IUPAC: 1-[2-(4-nitrophenoxy)ethyl]piperazine.
Chemical Property Profile of 1-[2-(4-Nitrophenoxy)ethyl]piperazine
Property Insights of 1-[2-(4-Nitrophenoxy)ethyl]piperazine
The XLogP value of 0.8788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(4-Nitrophenoxy)ethyl]piperazine. The TPSA of 67.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(4-Nitrophenoxy)ethyl]piperazine. Following Lipinski's Rule of Five, 1-[2-(4-Nitrophenoxy)ethyl]piperazine has 1 hydrogen bond donor(s) and 5 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-[2-(4-Nitrophenoxy)ethyl]piperazine?
The CAS number of 1-[2-(4-Nitrophenoxy)ethyl]piperazine is 40986-91-2.
What is the molecular formula of 1-[2-(4-Nitrophenoxy)ethyl]piperazine?
The molecular formula of 1-[2-(4-Nitrophenoxy)ethyl]piperazine is C12H17N3O3.
What is the molecular weight of 1-[2-(4-Nitrophenoxy)ethyl]piperazine?
The molecular weight of 1-[2-(4-Nitrophenoxy)ethyl]piperazine is 251.13 g/mol.
Where can I buy 1-[2-(4-Nitrophenoxy)ethyl]piperazine?
You can request a quote for 1-[2-(4-Nitrophenoxy)ethyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(4-Nitrophenoxy)ethyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(4-Nitrophenoxy)ethyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.