1-Methyl-4-piperidyl 4'-fluorobenzoate
TL;DR: 1-Methyl-4-piperidyl 4'-fluorobenzoate (CAS 102698-53-3) is a chemical compound with molecular formula C13H16FNO2 and molecular weight 237.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 4-fluorobenzoate
Also Known As: M4P 4'-Fluorobenzoate, 1-Methyl-4-piperidyl 4'-fluorobenzoate, TimTec1_008350, (1-methylpiperidin-4-yl) 4-fluorobenzoate, 1-methylpiperidin-4-yl 4-fluorobenzoate
| Molecular Formula | C13H16FNO2 |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.1165 |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 102698-53-3 |
|---|---|
| SMILES | CN1CCC(CC1)OC(=O)C2=CC=C(C=C2)F |
| InChIKey | WVLAEJNDCHGGDI-UHFFFAOYSA-N |
Product Overview
1-Methyl-4-piperidyl 4'-fluorobenzoate (CAS 102698-53-3), with molecular formula C13H16FNO2 and molecular weight 237.12 g/mol. IUPAC: (1-methylpiperidin-4-yl) 4-fluorobenzoate.
Chemical Property Profile of 1-Methyl-4-piperidyl 4'-fluorobenzoate
Property Insights of 1-Methyl-4-piperidyl 4'-fluorobenzoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-piperidyl 4'-fluorobenzoate. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Methyl-4-piperidyl 4'-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-piperidyl 4'-fluorobenzoate has 0 hydrogen bond donor(s) and 4 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 1-Methyl-4-piperidyl 4'-fluorobenzoate?
The CAS number of 1-Methyl-4-piperidyl 4'-fluorobenzoate is 102698-53-3.
What is the molecular formula of 1-Methyl-4-piperidyl 4'-fluorobenzoate?
The molecular formula of 1-Methyl-4-piperidyl 4'-fluorobenzoate is C13H16FNO2.
What is the molecular weight of 1-Methyl-4-piperidyl 4'-fluorobenzoate?
The molecular weight of 1-Methyl-4-piperidyl 4'-fluorobenzoate is 237.12 g/mol.
Where can I buy 1-Methyl-4-piperidyl 4'-fluorobenzoate?
You can request a quote for 1-Methyl-4-piperidyl 4'-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-piperidyl 4'-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-piperidyl 4'-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.