Ethyl 1-(3-Trifluoromethyl-benzyl)-piperidine-4-carboxylate
TL;DR: Ethyl 1-(3-Trifluoromethyl-benzyl)-piperidine-4-carboxylate (CAS 414893-38-2) is a chemical compound with molecular formula C16H20F3NO2 and molecular weight 315.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate
Also Known As: Ethyl 1-(3-Trifluoromethyl-benzyl)-piperidine-4-carboxylate, AB00078434-01, Ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate, ethyl 1-(3-(trifluoromethyl)benzyl)piperidine-4-carboxylate, ETHYL1-(3-TRIFLUOROMETHYL-BENZYL)-PIPERIDINE-4-CARBOXYLATE
| Molecular Formula | C16H20F3NO2 |
|---|---|
| Molecular Weight | 315.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.14462 |
| Heavy Atoms | 22 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 414893-38-2 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)CC2=CC(=CC=C2)C(F)(F)F |
| InChIKey | IHVQOYBQNLMUAB-UHFFFAOYSA-N |
Product Overview
Ethyl 1-(3-Trifluoromethyl-benzyl)-piperidine-4-carboxylate (CAS 414893-38-2), with molecular formula C16H20F3NO2 and molecular weight 315.14 g/mol. IUPAC: ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-(3-Trifluoromethyl-benzyl)-piperidine-4-carboxylate
Property Insights of Ethyl 1-(3-Trifluoromethyl-benzyl)-piperidine-4-carboxylate
The XLogP value of 3.4 indicates that Ethyl 1-(3-Trifluoromethyl-benzyl)-piperidine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl 1-(3-Trifluoromethyl-benzyl)-piperidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(3-Trifluoromethyl-benzyl)-piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 6 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 Ethyl 1-(3-Trifluoromethyl-benzyl)-piperidine-4-carboxylate?
The CAS number of Ethyl 1-(3-Trifluoromethyl-benzyl)-piperidine-4-carboxylate is 414893-38-2.
What is the molecular formula of Ethyl 1-(3-Trifluoromethyl-benzyl)-piperidine-4-carboxylate?
The molecular formula of Ethyl 1-(3-Trifluoromethyl-benzyl)-piperidine-4-carboxylate is C16H20F3NO2.
What is the molecular weight of Ethyl 1-(3-Trifluoromethyl-benzyl)-piperidine-4-carboxylate?
The molecular weight of Ethyl 1-(3-Trifluoromethyl-benzyl)-piperidine-4-carboxylate is 315.14 g/mol.
Where can I buy Ethyl 1-(3-Trifluoromethyl-benzyl)-piperidine-4-carboxylate?
You can request a quote for Ethyl 1-(3-Trifluoromethyl-benzyl)-piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(3-Trifluoromethyl-benzyl)-piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(3-Trifluoromethyl-benzyl)-piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.