Ethyl 1-benzoylpiperidine-4-carboxylate
TL;DR: Ethyl 1-benzoylpiperidine-4-carboxylate (CAS 136081-74-8) is a chemical compound with molecular formula C15H19NO3 and molecular weight 261.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-benzoylpiperidine-4-carboxylate
Also Known As: ethyl 1-benzoylpiperidine-4-carboxylate, Maybridge3_002242, ethyl N-benzoylisonipecotate, ethyl-N-benzoylisonipecotate, ethyl 1-benzoylisonipecotate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H19NO3 |
| Molecular Weight | 261.1365 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.1365 Da |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
| SMILES | CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2 |
| InChIKey | KZRCFZMHWBAFHJ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 1-benzoylpiperidine-4-carboxylate
Property Insights of Ethyl 1-benzoylpiperidine-4-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-benzoylpiperidine-4-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, Ethyl 1-benzoylpiperidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-benzoylpiperidine-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
What is the CAS number of Ethyl 1-benzoylpiperidine-4-carboxylate?
The CAS number of Ethyl 1-benzoylpiperidine-4-carboxylate is 136081-74-8.
What is the molecular formula of Ethyl 1-benzoylpiperidine-4-carboxylate?
The molecular formula of Ethyl 1-benzoylpiperidine-4-carboxylate is C15H19NO3.
What is the molecular weight of Ethyl 1-benzoylpiperidine-4-carboxylate?
The molecular weight of Ethyl 1-benzoylpiperidine-4-carboxylate is 261.1365 g/mol.
Where can I buy Ethyl 1-benzoylpiperidine-4-carboxylate?
You can request a quote for Ethyl 1-benzoylpiperidine-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 1-benzoylpiperidine-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 1-benzoylpiperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.