2-(4-(1-(2-Nitrobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate
TL;DR: 2-(4-(1-(2-Nitrobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate (CAS 1048347-03-0) is a chemical compound with molecular formula C20H30N4O7 and molecular weight 438.21146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol;oxalic acid
Also Known As: 2-(4-(1-(2-nitrobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate, 2-[4-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol; oxalic acid, IUPAC: 2-[4-[1-[(2-nitrophenyl)methyl]-4-piperidyl]piperazin-1-yl]ethanol; Oxalic Acid
Technical Specifications
| Molecular Formula | C20H30N4O7 |
| Molecular Weight | 438.21146 g/mol |
| XLogP | 0.3247 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.21146 Da |
| Heavy Atoms | 31 |
| Complexity | 487.0 |
| SMILES | C1CN(CCC1N2CCN(CC2)CCO)CC3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O |
| InChIKey | IBEDQZJZSMVUTE-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-(1-(2-Nitrobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate
Property Insights of 2-(4-(1-(2-Nitrobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate
The XLogP value of 0.3247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(1-(2-Nitrobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate. The TPSA of 150.0 Ų indicates high polarity, suggesting 2-(4-(1-(2-Nitrobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(4-(1-(2-Nitrobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-(1-(2-Nitrobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate?
The CAS number of 2-(4-(1-(2-Nitrobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate is 1048347-03-0.
What is the molecular formula of 2-(4-(1-(2-Nitrobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate?
The molecular formula of 2-(4-(1-(2-Nitrobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate is C20H30N4O7.
What is the molecular weight of 2-(4-(1-(2-Nitrobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate?
The molecular weight of 2-(4-(1-(2-Nitrobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate is 438.21146 g/mol.
Where can I buy 2-(4-(1-(2-Nitrobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate?
You can request a quote for 2-(4-(1-(2-Nitrobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-(1-(2-Nitrobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate?
Yes, CoreyChem provides custom synthesis services for 2-(4-(1-(2-Nitrobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.