Ethyl 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylate
TL;DR: Ethyl 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylate (CAS 72216-57-0) is a chemical compound with molecular formula C21H25NO2 and molecular weight 323.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-benzyl-4-phenylpiperidine-4-carboxylate
Also Known As: ethyl 1-benzyl-4-phenylpiperidine-4-carboxylate, Pethidine EP Impurity H, Ethyl 1-benzyl-4-phenyl-4-piperidinecarboxylate, 1-Benzyl-4-phenyl-4-piperidinecarboxylic Acid Ethyl Ester, ETHYL-1-BENZYL-4-PIPERINE CARBOXYLATE
| Molecular Formula | C21H25NO2 |
|---|---|
| Molecular Weight | 323.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.18854 |
| Heavy Atoms | 24 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 72216-57-0 |
|---|---|
| SMILES | CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | DLCANSQBMBAXDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylate (CAS 72216-57-0), with molecular formula C21H25NO2 and molecular weight 323.19 g/mol. IUPAC: ethyl 1-benzyl-4-phenylpiperidine-4-carboxylate.
Chemical Property Profile of Ethyl 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylate
Property Insights of Ethyl 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylate
The XLogP value of 3.9 indicates that Ethyl 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylate 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 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylate?
The CAS number of Ethyl 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylate is 72216-57-0.
What is the molecular formula of Ethyl 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylate?
The molecular formula of Ethyl 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylate is C21H25NO2.
What is the molecular weight of Ethyl 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylate?
The molecular weight of Ethyl 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylate is 323.19 g/mol.
Where can I buy Ethyl 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylate?
You can request a quote for Ethyl 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.