1-(4-Trifluoromethylbenzyl)-2-carboxypiperidine
TL;DR: 1-(4-Trifluoromethylbenzyl)-2-carboxypiperidine (CAS 1042444-54-1) is a chemical compound with molecular formula C14H16F3NO2 and molecular weight 287.1133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
Also Known As: 1-(4-Trifluoromethylbenzyl)-2-carboxypiperidine, 1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic Acid, 1-(4-(trifluoromethyl)benzyl)piperidine-2-carboxylic
Technical Specifications
| Molecular Formula | C14H16F3NO2 |
| Molecular Weight | 287.1133 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.1133 Da |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
| SMILES | C1CCN(C(C1)C(=O)O)CC2=CC=C(C=C2)C(F)(F)F |
| InChIKey | VYYDTQAFRYLTIX-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Trifluoromethylbenzyl)-2-carboxypiperidine
Property Insights of 1-(4-Trifluoromethylbenzyl)-2-carboxypiperidine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Trifluoromethylbenzyl)-2-carboxypiperidine. With a topological polar surface area (TPSA) of 40.5 Ų, 1-(4-Trifluoromethylbenzyl)-2-carboxypiperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Trifluoromethylbenzyl)-2-carboxypiperidine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(4-Trifluoromethylbenzyl)-2-carboxypiperidine?
The CAS number of 1-(4-Trifluoromethylbenzyl)-2-carboxypiperidine is 1042444-54-1.
What is the molecular formula of 1-(4-Trifluoromethylbenzyl)-2-carboxypiperidine?
The molecular formula of 1-(4-Trifluoromethylbenzyl)-2-carboxypiperidine is C14H16F3NO2.
What is the molecular weight of 1-(4-Trifluoromethylbenzyl)-2-carboxypiperidine?
The molecular weight of 1-(4-Trifluoromethylbenzyl)-2-carboxypiperidine is 287.1133 g/mol.
Where can I buy 1-(4-Trifluoromethylbenzyl)-2-carboxypiperidine?
You can request a quote for 1-(4-Trifluoromethylbenzyl)-2-carboxypiperidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Trifluoromethylbenzyl)-2-carboxypiperidine?
Yes, CoreyChem provides custom synthesis services for 1-(4-Trifluoromethylbenzyl)-2-carboxypiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.