![1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]piperidine structure](/static/products/101/10149-57-2.png)
1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]piperidine
TL;DR: 1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]piperidine (CAS 10149-57-2) is a chemical compound with molecular formula C12H12F3N3O4 and molecular weight 319.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidine
Also Known As: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidine, 1-(Dinitro-trifluoromethyl-phenyl)-piperidine, 1-(2,6-Dinitro-4-trifluoromethyl-phenyl)-piperidine, [2,6-dinitro-4-(trifluoromethyl)phenyl]piperidine, 5-(Trifluoromethyl)-2-piperidino-1,3-dinitrobenzene
| Molecular Formula | C12H12F3N3O4 |
|---|---|
| Molecular Weight | 319.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.078 |
| Heavy Atoms | 22 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 10149-57-2 |
|---|---|
| SMILES | C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
| InChIKey | HAQGMURTUIXVBD-UHFFFAOYSA-N |
Product Overview
1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]piperidine (CAS 10149-57-2), with molecular formula C12H12F3N3O4 and molecular weight 319.08 g/mol. IUPAC: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidine.
Chemical Property Profile of 1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]piperidine
Property Insights of 1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]piperidine
The XLogP value of 3.4 indicates that 1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]piperidine. Following Lipinski's Rule of Five, 1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]piperidine 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 1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]piperidine?
The CAS number of 1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]piperidine is 10149-57-2.
What is the molecular formula of 1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]piperidine?
The molecular formula of 1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]piperidine is C12H12F3N3O4.
What is the molecular weight of 1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]piperidine?
The molecular weight of 1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]piperidine is 319.08 g/mol.
Where can I buy 1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]piperidine?
You can request a quote for 1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.