3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
TL;DR: 3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester (CAS 1052512-89-6) is a chemical compound with molecular formula C15H21ClFNO2 and molecular weight 301.12448 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-piperidin-1-ylpropan-2-yl 3-fluorobenzoate;hydrochloride
Also Known As: 1-(1-piperidyl)propan-2-yl 3-fluorobenzoate Hydrochloride, 1-piperidin-1-ylpropan-2-yl 3-fluorobenzoate hydrochloride, 3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester, 1-(PIPERIDIN-1-YL)PROPAN-2-YL 3-FLUOROBENZOATE HYDROCHLORIDE
Technical Specifications
| Molecular Formula | C15H21ClFNO2 |
| Molecular Weight | 301.12448 g/mol |
| XLogP | 3.2787 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.12448 Da |
| Heavy Atoms | 20 |
| Complexity | 292.0 |
| SMILES | CC(CN1CCCCC1)OC(=O)C2=CC(=CC=C2)F.Cl |
| InChIKey | FZKKJFWTJPHWQF-UHFFFAOYSA-N |
Chemical Property Profile of 3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
Property Insights of 3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
The XLogP value of 3.2787 indicates that 3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
The CAS number of 3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester is 1052512-89-6.
What is the molecular formula of 3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
The molecular formula of 3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester is C15H21ClFNO2.
What is the molecular weight of 3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
The molecular weight of 3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester is 301.12448 g/mol.
Where can I buy 3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
You can request a quote for 3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
Yes, CoreyChem provides custom synthesis services for 3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.