2-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester
TL;DR: 2-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester (CAS 54965-27-4) is a chemical compound with molecular formula C12H18F3NO3 and molecular weight 281.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylate
Also Known As: 1-2-piperidinecarboxylicacid1-methylpropylester, 1- -2-piperidinecarboxylicacid1-methylpropylester, Sec-butyl 1-(trifluoroacetyl)-2-piperidinecarboxylate, butan-2-yl 1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylate, Sec-butyl 1-(trifluoroacetyl)-2-piperidinecarboxylate #
| Molecular Formula | C12H18F3NO3 |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.12387 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 54965-27-4 |
|---|---|
| SMILES | CCC(C)OC(=O)C1CCCCN1C(=O)C(F)(F)F |
| InChIKey | WPEYTXDPQFFBSD-UHFFFAOYSA-N |
Product Overview
2-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester (CAS 54965-27-4), with molecular formula C12H18F3NO3 and molecular weight 281.12 g/mol. IUPAC: butan-2-yl 1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylate.
Chemical Property Profile of 2-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester
Property Insights of 2-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester
The XLogP value of 3.0 indicates that 2-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 2-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester 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 2-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester?
The CAS number of 2-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester is 54965-27-4.
What is the molecular formula of 2-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester?
The molecular formula of 2-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester is C12H18F3NO3.
What is the molecular weight of 2-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester?
The molecular weight of 2-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester is 281.12 g/mol.
Where can I buy 2-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester?
You can request a quote for 2-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.