1-Methyl-4-piperidyl benzilate
TL;DR: 1-Methyl-4-piperidyl benzilate (CAS 3608-67-1) is a chemical compound with molecular formula C20H23NO3 and molecular weight 325.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate
Also Known As: Enpiperate, 4-NMPB, [3H]enpiperate, 1-Methyl-4-piperidyl diphenylglycolate, 1-Methyl-4-piperidyl benzilate
| Molecular Formula | C20H23NO3 |
|---|---|
| Molecular Weight | 325.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.1678 |
| Heavy Atoms | 24 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 3608-67-1 |
|---|---|
| SMILES | CN1CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O |
| InChIKey | UGYPGJCVNPPUPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-4-piperidyl benzilate (CAS 3608-67-1), with molecular formula C20H23NO3 and molecular weight 325.17 g/mol. IUPAC: (1-methylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of 1-Methyl-4-piperidyl benzilate
Property Insights of 1-Methyl-4-piperidyl benzilate
The XLogP value of 3.2 indicates that 1-Methyl-4-piperidyl benzilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 1-Methyl-4-piperidyl benzilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-piperidyl benzilate 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 1-Methyl-4-piperidyl benzilate?
The CAS number of 1-Methyl-4-piperidyl benzilate is 3608-67-1.
What is the molecular formula of 1-Methyl-4-piperidyl benzilate?
The molecular formula of 1-Methyl-4-piperidyl benzilate is C20H23NO3.
What is the molecular weight of 1-Methyl-4-piperidyl benzilate?
The molecular weight of 1-Methyl-4-piperidyl benzilate is 325.17 g/mol.
Where can I buy 1-Methyl-4-piperidyl benzilate?
You can request a quote for 1-Methyl-4-piperidyl benzilate 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 benzilate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-piperidyl benzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.