Ethyl 4-cyano-4-((4-fluorophenyl)amino)piperidine-1-carboxylate
TL;DR: Ethyl 4-cyano-4-((4-fluorophenyl)amino)piperidine-1-carboxylate (CAS 80912-40-9) is a chemical compound with molecular formula C15H18FN3O2 and molecular weight 291.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-4-(4-fluoroanilino)piperidine-1-carboxylate
Also Known As: EINECS 279-622-1, Ethyl 4-cyano-4-((4-fluorophenyl)amino)piperidine-1-carboxylate, ethyl 4-cyano-4-(4-fluoroanilino)piperidine-1-carboxylate, ethyl4-cyano-4-[ amino]piperidine-1-carboxylate, ETHYL 4-CYANO-4-[(4-FLUOROPHENYL)AMINO]PIPERIDINE-1-CARBOXYLATE
| Molecular Formula | C15H18FN3O2 |
|---|---|
| Molecular Weight | 291.14 g/mol |
| LogP | 2.75228 |
| Topological Polar Surface Area | 65.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.1383 |
| Heavy Atoms | 21 |
| Complexity | 530.84485 |
Chemical Identifiers
| CAS Number | 80912-40-9 |
|---|---|
| SMILES | CCOC(=O)N1CCC(CC1)(C#N)NC2=CC=C(C=C2)F |
Product Overview
Ethyl 4-cyano-4-((4-fluorophenyl)amino)piperidine-1-carboxylate (CAS 80912-40-9), with molecular formula C15H18FN3O2 and molecular weight 291.14 g/mol. IUPAC: ethyl 4-cyano-4-(4-fluoroanilino)piperidine-1-carboxylate.
Chemical Property Profile of Ethyl 4-cyano-4-((4-fluorophenyl)amino)piperidine-1-carboxylate
Property Insights of Ethyl 4-cyano-4-((4-fluorophenyl)amino)piperidine-1-carboxylate
The XLogP value of 2.75228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-cyano-4-((4-fluorophenyl)amino)piperidine-1-carboxylate. The TPSA of 65.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-cyano-4-((4-fluorophenyl)amino)piperidine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-cyano-4-((4-fluorophenyl)amino)piperidine-1-carboxylate 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
Frequently Asked Questions
What is the CAS number of Ethyl 4-cyano-4-((4-fluorophenyl)amino)piperidine-1-carboxylate?
The CAS number of Ethyl 4-cyano-4-((4-fluorophenyl)amino)piperidine-1-carboxylate is 80912-40-9.
What is the molecular formula of Ethyl 4-cyano-4-((4-fluorophenyl)amino)piperidine-1-carboxylate?
The molecular formula of Ethyl 4-cyano-4-((4-fluorophenyl)amino)piperidine-1-carboxylate is C15H18FN3O2.
What is the molecular weight of Ethyl 4-cyano-4-((4-fluorophenyl)amino)piperidine-1-carboxylate?
The molecular weight of Ethyl 4-cyano-4-((4-fluorophenyl)amino)piperidine-1-carboxylate is 291.14 g/mol.
Where can I buy Ethyl 4-cyano-4-((4-fluorophenyl)amino)piperidine-1-carboxylate?
You can request a quote for Ethyl 4-cyano-4-((4-fluorophenyl)amino)piperidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-cyano-4-((4-fluorophenyl)amino)piperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-cyano-4-((4-fluorophenyl)amino)piperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.