1-(4-Nitrobenzyl)-4-(pentan-3-yl)piperazine
TL;DR: 1-(4-Nitrobenzyl)-4-(pentan-3-yl)piperazine (CAS 519015-66-8) is a chemical compound with molecular formula C16H25N3O2 and molecular weight 291.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-nitrophenyl)methyl]-4-pentan-3-ylpiperazine
Also Known As: 1-(4-nitrobenzyl)-4-(pentan-3-yl)piperazine, 1-[(4-nitrophenyl)methyl]-4-pentan-3-ylpiperazine, 1-(ethylpropyl)-4-[(4-nitrophenyl)methyl]piperazine, 1-[(4-nitrophenyl)methyl]-4-pentan-3-yl-piperazine, 1-(1-ETHYLPROPYL)-4-(4-NITROBENZYL)PIPERAZINE
| Molecular Formula | C16H25N3O2 |
|---|---|
| Molecular Weight | 291.19 g/mol |
| LogP | 2.901 |
| Topological Polar Surface Area | 49.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.19467 |
| Heavy Atoms | 21 |
| Complexity | 449.09482 |
Chemical Identifiers
| CAS Number | 519015-66-8 |
|---|---|
| SMILES | CCC(CC)N1CCN(CC1)CC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-(4-Nitrobenzyl)-4-(pentan-3-yl)piperazine (CAS 519015-66-8), with molecular formula C16H25N3O2 and molecular weight 291.19 g/mol. IUPAC: 1-[(4-nitrophenyl)methyl]-4-pentan-3-ylpiperazine.
Chemical Property Profile of 1-(4-Nitrobenzyl)-4-(pentan-3-yl)piperazine
Property Insights of 1-(4-Nitrobenzyl)-4-(pentan-3-yl)piperazine
The XLogP value of 2.901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrobenzyl)-4-(pentan-3-yl)piperazine. With a topological polar surface area (TPSA) of 49.62 Ų, 1-(4-Nitrobenzyl)-4-(pentan-3-yl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Nitrobenzyl)-4-(pentan-3-yl)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-(4-Nitrobenzyl)-4-(pentan-3-yl)piperazine?
The CAS number of 1-(4-Nitrobenzyl)-4-(pentan-3-yl)piperazine is 519015-66-8.
What is the molecular formula of 1-(4-Nitrobenzyl)-4-(pentan-3-yl)piperazine?
The molecular formula of 1-(4-Nitrobenzyl)-4-(pentan-3-yl)piperazine is C16H25N3O2.
What is the molecular weight of 1-(4-Nitrobenzyl)-4-(pentan-3-yl)piperazine?
The molecular weight of 1-(4-Nitrobenzyl)-4-(pentan-3-yl)piperazine is 291.19 g/mol.
Where can I buy 1-(4-Nitrobenzyl)-4-(pentan-3-yl)piperazine?
You can request a quote for 1-(4-Nitrobenzyl)-4-(pentan-3-yl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrobenzyl)-4-(pentan-3-yl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrobenzyl)-4-(pentan-3-yl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.