1'-(3-Chlorobenzyl)-3-methyl-1,4'-bipiperidine oxalate
TL;DR: 1'-(3-Chlorobenzyl)-3-methyl-1,4'-bipiperidine oxalate (CAS 1048638-95-4) is a chemical compound with molecular formula C20H29ClN2O4 and molecular weight 396.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-chlorophenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine;oxalic acid
Also Known As: 1'-(3-chlorobenzyl)-3-methyl-1,4'-bipiperidine oxalate, 1-[(3-chlorophenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine; oxalic acid, IUPAC: 1-[1-[(3-chlorophenyl)methyl]-4-piperidyl]-3-methyl-piperidine; Oxalic Acid
| Molecular Formula | C20H29ClN2O4 |
|---|---|
| Molecular Weight | 396.18 g/mol |
| LogP | 3.1919 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.18158 |
| Heavy Atoms | 27 |
| Complexity | 620.16266 |
Chemical Identifiers
| CAS Number | 1048638-95-4 |
|---|---|
| SMILES | CC1CCCN(C1)C2CCN(CC2)CC3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O |
Product Overview
1'-(3-Chlorobenzyl)-3-methyl-1,4'-bipiperidine oxalate (CAS 1048638-95-4), with molecular formula C20H29ClN2O4 and molecular weight 396.18 g/mol. IUPAC: 1-[(3-chlorophenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine;oxalic acid.
Chemical Property Profile of 1'-(3-Chlorobenzyl)-3-methyl-1,4'-bipiperidine oxalate
Property Insights of 1'-(3-Chlorobenzyl)-3-methyl-1,4'-bipiperidine oxalate
The XLogP value of 3.1919 indicates that 1'-(3-Chlorobenzyl)-3-methyl-1,4'-bipiperidine oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-(3-Chlorobenzyl)-3-methyl-1,4'-bipiperidine oxalate. Following Lipinski's Rule of Five, 1'-(3-Chlorobenzyl)-3-methyl-1,4'-bipiperidine oxalate has 2 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'-(3-Chlorobenzyl)-3-methyl-1,4'-bipiperidine oxalate?
The CAS number of 1'-(3-Chlorobenzyl)-3-methyl-1,4'-bipiperidine oxalate is 1048638-95-4.
What is the molecular formula of 1'-(3-Chlorobenzyl)-3-methyl-1,4'-bipiperidine oxalate?
The molecular formula of 1'-(3-Chlorobenzyl)-3-methyl-1,4'-bipiperidine oxalate is C20H29ClN2O4.
What is the molecular weight of 1'-(3-Chlorobenzyl)-3-methyl-1,4'-bipiperidine oxalate?
The molecular weight of 1'-(3-Chlorobenzyl)-3-methyl-1,4'-bipiperidine oxalate is 396.18 g/mol.
Where can I buy 1'-(3-Chlorobenzyl)-3-methyl-1,4'-bipiperidine oxalate?
You can request a quote for 1'-(3-Chlorobenzyl)-3-methyl-1,4'-bipiperidine oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-(3-Chlorobenzyl)-3-methyl-1,4'-bipiperidine oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1'-(3-Chlorobenzyl)-3-methyl-1,4'-bipiperidine oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.