Diethyl 2,2'-(1-benzylpiperidine-4,4-diyl)diacetate
TL;DR: Diethyl 2,2'-(1-benzylpiperidine-4,4-diyl)diacetate (CAS 160133-32-4) is a chemical compound with molecular formula C20H29NO4 and molecular weight 347.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-benzyl-4-(2-ethoxy-2-oxoethyl)piperidin-4-yl]acetate
Also Known As: diethyl 2,2'-(1-benzylpiperidine-4,4-diyl)diacetate, diethyl 1-benzylpiperidine-4,4-diacetate, ethyl 2-[1-benzyl-4-(2-ethoxy-2-oxo-ethyl)-4-piperidyl]acetate, 4,4-Piperidinediacetic acid, 1-(phenylmethyl)-, diethyl ester, 4,4-Piperidinediaceticacid,1-(phenylmethyl)-,4,4-diethylester
| Molecular Formula | C20H29NO4 |
|---|---|
| Molecular Weight | 347.21 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 347.20966 |
| Heavy Atoms | 25 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 160133-32-4 |
|---|---|
| SMILES | CCOC(=O)CC1(CCN(CC1)CC2=CC=CC=C2)CC(=O)OCC |
| InChIKey | PUUPUDJVNOJWNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2,2'-(1-benzylpiperidine-4,4-diyl)diacetate (CAS 160133-32-4), with molecular formula C20H29NO4 and molecular weight 347.21 g/mol. IUPAC: ethyl 2-[1-benzyl-4-(2-ethoxy-2-oxoethyl)piperidin-4-yl]acetate.
Chemical Property Profile of Diethyl 2,2'-(1-benzylpiperidine-4,4-diyl)diacetate
Property Insights of Diethyl 2,2'-(1-benzylpiperidine-4,4-diyl)diacetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,2'-(1-benzylpiperidine-4,4-diyl)diacetate. With a topological polar surface area (TPSA) of 55.8 Ų, Diethyl 2,2'-(1-benzylpiperidine-4,4-diyl)diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2,2'-(1-benzylpiperidine-4,4-diyl)diacetate has 0 hydrogen bond donor(s) and 5 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 Diethyl 2,2'-(1-benzylpiperidine-4,4-diyl)diacetate?
The CAS number of Diethyl 2,2'-(1-benzylpiperidine-4,4-diyl)diacetate is 160133-32-4.
What is the molecular formula of Diethyl 2,2'-(1-benzylpiperidine-4,4-diyl)diacetate?
The molecular formula of Diethyl 2,2'-(1-benzylpiperidine-4,4-diyl)diacetate is C20H29NO4.
What is the molecular weight of Diethyl 2,2'-(1-benzylpiperidine-4,4-diyl)diacetate?
The molecular weight of Diethyl 2,2'-(1-benzylpiperidine-4,4-diyl)diacetate is 347.21 g/mol.
Where can I buy Diethyl 2,2'-(1-benzylpiperidine-4,4-diyl)diacetate?
You can request a quote for Diethyl 2,2'-(1-benzylpiperidine-4,4-diyl)diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2'-(1-benzylpiperidine-4,4-diyl)diacetate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2'-(1-benzylpiperidine-4,4-diyl)diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.