1-(1-Methyl-5-nitroimidazol-4-yl)piperidine
TL;DR: 1-(1-Methyl-5-nitroimidazol-4-yl)piperidine (CAS 113121-68-9) is a chemical compound with molecular formula C9H14N4O2 and molecular weight 210.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-methyl-5-nitroimidazol-4-yl)piperidine
Also Known As: 1-methyl-5-nitro-4-piperidinoimidazole, 1-Methyl-4-piperidino-5-nitro-1H-imidazole, 1-(1-methyl-5-nitroimidazol-4-yl)piperidine, J3.100.674K, 1-(1-methyl-5-nitro-1H-imidazol-4-yl)piperidine
| Molecular Formula | C9H14N4O2 |
|---|---|
| Molecular Weight | 210.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.11168 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 113121-68-9 |
|---|---|
| SMILES | CN1C=NC(=C1[N+](=O)[O-])N2CCCCC2 |
| InChIKey | TWKILPPPVBIHOH-UHFFFAOYSA-N |
Product Overview
1-(1-Methyl-5-nitroimidazol-4-yl)piperidine (CAS 113121-68-9), with molecular formula C9H14N4O2 and molecular weight 210.11 g/mol. IUPAC: 1-(1-methyl-5-nitroimidazol-4-yl)piperidine.
Chemical Property Profile of 1-(1-Methyl-5-nitroimidazol-4-yl)piperidine
Property Insights of 1-(1-Methyl-5-nitroimidazol-4-yl)piperidine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Methyl-5-nitroimidazol-4-yl)piperidine. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Methyl-5-nitroimidazol-4-yl)piperidine. Following Lipinski's Rule of Five, 1-(1-Methyl-5-nitroimidazol-4-yl)piperidine 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-(1-Methyl-5-nitroimidazol-4-yl)piperidine?
The CAS number of 1-(1-Methyl-5-nitroimidazol-4-yl)piperidine is 113121-68-9.
What is the molecular formula of 1-(1-Methyl-5-nitroimidazol-4-yl)piperidine?
The molecular formula of 1-(1-Methyl-5-nitroimidazol-4-yl)piperidine is C9H14N4O2.
What is the molecular weight of 1-(1-Methyl-5-nitroimidazol-4-yl)piperidine?
The molecular weight of 1-(1-Methyl-5-nitroimidazol-4-yl)piperidine is 210.11 g/mol.
Where can I buy 1-(1-Methyl-5-nitroimidazol-4-yl)piperidine?
You can request a quote for 1-(1-Methyl-5-nitroimidazol-4-yl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Methyl-5-nitroimidazol-4-yl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Methyl-5-nitroimidazol-4-yl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.