Isopropyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate
TL;DR: Isopropyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate (CAS 57611-62-8) is a chemical compound with molecular formula C20H28N2O10 and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;propan-2-yl 4-amino-1-benzylpiperidine-4-carboxylate
Also Known As: Isopropyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate, 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, 1-methylethyl ester, ethanedioate (1:2), oxalic acid; propan-2-yl 4-amino-1-benzylpiperidine-4-carboxylate, Oxalic acid--propan-2-yl 4-amino-1-benzylpiperidine-4-carboxylate (2/1), RefChem:295649
| Molecular Formula | C20H28N2O10 |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 0.2427 |
| Topological Polar Surface Area | 204.76 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.1744 |
| Heavy Atoms | 32 |
| Complexity | 738.83 |
Chemical Identifiers
| CAS Number | 57611-62-8 |
|---|---|
| SMILES | CC(C)OC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
Isopropyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate (CAS 57611-62-8), with molecular formula C20H28N2O10 and molecular weight 456.17 g/mol. IUPAC: oxalic acid;propan-2-yl 4-amino-1-benzylpiperidine-4-carboxylate.
Chemical Property Profile of Isopropyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate
Property Insights of Isopropyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate
The XLogP value of 0.2427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate. The TPSA of 204.76 Ų indicates high polarity, suggesting Isopropyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isopropyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate has 5 hydrogen bond donor(s) and 8 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 Isopropyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate?
The CAS number of Isopropyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate is 57611-62-8.
What is the molecular formula of Isopropyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate?
The molecular formula of Isopropyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate is C20H28N2O10.
What is the molecular weight of Isopropyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate?
The molecular weight of Isopropyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate is 456.17 g/mol.
Where can I buy Isopropyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate?
You can request a quote for Isopropyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.