![methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate structure](/static/products/860/860649-22-5.png)
methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate
TL;DR: methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate (CAS 860649-22-5) is a chemical compound with molecular formula C27H36N4O5 and molecular weight 496.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[[4-[3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]phenyl]methyl]piperidine-4-carboxylate
Also Known As: methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate, Methyl 1-[[4-[3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]phenyl]methyl]piperidine-4-carboxylate, methyl 1-[(4-{3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy}phenyl)methyl]piperidine-4-carboxylate, 1-[4-[3-[4-(4-nitrophenyl)piperazino]propoxy]benzyl]isonipecotic acid methyl ester, 1-[[4-[3-[4-(4-nitrophenyl)-1-piperazinyl]propoxy]phenyl]methyl]-4-piperidinecarboxylic acid methyl ester
| Molecular Formula | C27H36N4O5 |
|---|---|
| Molecular Weight | 496.27 g/mol |
| LogP | 3.5709 |
| Topological Polar Surface Area | 88.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 496.2686 |
| Heavy Atoms | 36 |
| Complexity | 982.2285 |
Chemical Identifiers
| CAS Number | 860649-22-5 |
|---|---|
| SMILES | COC(=O)C1CCN(CC1)CC2=CC=C(C=C2)OCCCN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate (CAS 860649-22-5), with molecular formula C27H36N4O5 and molecular weight 496.27 g/mol. IUPAC: methyl 1-[[4-[3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]phenyl]methyl]piperidine-4-carboxylate.
Chemical Property Profile of methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate
Property Insights of methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate
The XLogP value of 3.5709 indicates that methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.39 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate. Following Lipinski's Rule of Five, methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate has 0 hydrogen bond donor(s) and 8 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 methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate?
The CAS number of methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate is 860649-22-5.
What is the molecular formula of methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate?
The molecular formula of methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate is C27H36N4O5.
What is the molecular weight of methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate?
The molecular weight of methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate is 496.27 g/mol.
Where can I buy methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate?
You can request a quote for methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(4-{3-[4-(4-nitrophenyl)piperazino]propoxy}benzyl)-4-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.