3-ALLYLPIPERIDINE
TL;DR: 3-ALLYLPIPERIDINE (CAS 1260880-04-3) is a chemical compound with molecular formula C17H19F3N2O5 and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyl]piperidine-4-carboxylate
Also Known As: 3-ALLYLPIPERIDINE, ethyl 1-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyl]piperidine-4-carboxylate
| Molecular Formula | C17H19F3N2O5 |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 2.6586 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.1246 |
| Heavy Atoms | 27 |
| Complexity | 691.76556 |
Chemical Identifiers
| CAS Number | 1260880-04-3 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F |
Product Overview
3-ALLYLPIPERIDINE (CAS 1260880-04-3), with molecular formula C17H19F3N2O5 and molecular weight 388.12 g/mol. IUPAC: ethyl 1-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyl]piperidine-4-carboxylate.
Chemical Property Profile of 3-ALLYLPIPERIDINE
Property Insights of 3-ALLYLPIPERIDINE
The XLogP value of 2.6586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ALLYLPIPERIDINE. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-ALLYLPIPERIDINE. Following Lipinski's Rule of Five, 3-ALLYLPIPERIDINE has 1 hydrogen bond donor(s) and 5 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 3-ALLYLPIPERIDINE?
The CAS number of 3-ALLYLPIPERIDINE is 1260880-04-3.
What is the molecular formula of 3-ALLYLPIPERIDINE?
The molecular formula of 3-ALLYLPIPERIDINE is C17H19F3N2O5.
What is the molecular weight of 3-ALLYLPIPERIDINE?
The molecular weight of 3-ALLYLPIPERIDINE is 388.12 g/mol.
Where can I buy 3-ALLYLPIPERIDINE?
You can request a quote for 3-ALLYLPIPERIDINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ALLYLPIPERIDINE?
Yes, KEHONG BIO provides custom synthesis services for 3-ALLYLPIPERIDINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.