Ethyl 1-(3-chlorobenzyl)-4-piperidinecarboxylate
TL;DR: Ethyl 1-(3-chlorobenzyl)-4-piperidinecarboxylate (CAS 414887-74-4) is a chemical compound with molecular formula C15H20ClNO2 and molecular weight 281.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
Also Known As: ethyl 1-(3-chlorobenzyl)-4-piperidinecarboxylate, AB00078114-01, ethyl 1-(3-chlorobenzyl)piperidine-4-carboxylate, Ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
| Molecular Formula | C15H20ClNO2 |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.11826 |
| Heavy Atoms | 19 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 414887-74-4 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)CC2=CC(=CC=C2)Cl |
| InChIKey | BRIQJSSTUJEWHC-UHFFFAOYSA-N |
Product Overview
Ethyl 1-(3-chlorobenzyl)-4-piperidinecarboxylate (CAS 414887-74-4), with molecular formula C15H20ClNO2 and molecular weight 281.12 g/mol. IUPAC: ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-(3-chlorobenzyl)-4-piperidinecarboxylate
Property Insights of Ethyl 1-(3-chlorobenzyl)-4-piperidinecarboxylate
The XLogP value of 3.1 indicates that Ethyl 1-(3-chlorobenzyl)-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 1-(3-chlorobenzyl)-4-piperidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(3-chlorobenzyl)-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 1-(3-chlorobenzyl)-4-piperidinecarboxylate?
The CAS number of Ethyl 1-(3-chlorobenzyl)-4-piperidinecarboxylate is 414887-74-4.
What is the molecular formula of Ethyl 1-(3-chlorobenzyl)-4-piperidinecarboxylate?
The molecular formula of Ethyl 1-(3-chlorobenzyl)-4-piperidinecarboxylate is C15H20ClNO2.
What is the molecular weight of Ethyl 1-(3-chlorobenzyl)-4-piperidinecarboxylate?
The molecular weight of Ethyl 1-(3-chlorobenzyl)-4-piperidinecarboxylate is 281.12 g/mol.
Where can I buy Ethyl 1-(3-chlorobenzyl)-4-piperidinecarboxylate?
You can request a quote for Ethyl 1-(3-chlorobenzyl)-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 1-(3-chlorobenzyl)-4-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(3-chlorobenzyl)-4-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.