Ethyl 1-butylpiperidine-4-carboxylate
TL;DR: Ethyl 1-butylpiperidine-4-carboxylate (CAS 74045-89-9) is a chemical compound with molecular formula C12H23NO2 and molecular weight 213.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-butylpiperidine-4-carboxylate
Also Known As: Ethyl 1-butylpiperidine-4-carboxylate, ethyl 1-n-butylisonipecotate, 1-Butyl-piperidine-4-carboxylic acid ethyl ester, Ethyl1-butylpiperidine-4-carboxylate, 1-Butylpiperidine-4-carboxylic acid ethyl ester
| Molecular Formula | C12H23NO2 |
|---|---|
| Molecular Weight | 213.17 g/mol |
| LogP | 2.0616 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 213.17288 |
| Heavy Atoms | 15 |
| Complexity | 186.06114 |
Chemical Identifiers
| CAS Number | 74045-89-9 |
|---|---|
| SMILES | CCCCN1CCC(CC1)C(=O)OCC |
Product Overview
Ethyl 1-butylpiperidine-4-carboxylate (CAS 74045-89-9), with molecular formula C12H23NO2 and molecular weight 213.17 g/mol. IUPAC: ethyl 1-butylpiperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-butylpiperidine-4-carboxylate
Property Insights of Ethyl 1-butylpiperidine-4-carboxylate
The XLogP value of 2.0616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-butylpiperidine-4-carboxylate. With a topological polar surface area (TPSA) of 29.54 Ų, Ethyl 1-butylpiperidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-butylpiperidine-4-carboxylate has 0 hydrogen bond donor(s) and 3 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 1-butylpiperidine-4-carboxylate?
The CAS number of Ethyl 1-butylpiperidine-4-carboxylate is 74045-89-9.
What is the molecular formula of Ethyl 1-butylpiperidine-4-carboxylate?
The molecular formula of Ethyl 1-butylpiperidine-4-carboxylate is C12H23NO2.
What is the molecular weight of Ethyl 1-butylpiperidine-4-carboxylate?
The molecular weight of Ethyl 1-butylpiperidine-4-carboxylate is 213.17 g/mol.
Where can I buy Ethyl 1-butylpiperidine-4-carboxylate?
You can request a quote for Ethyl 1-butylpiperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-butylpiperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-butylpiperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.