Methyl 2-(piperidin-4-yl)acetate dihydrochloride
TL;DR: Methyl 2-(piperidin-4-yl)acetate dihydrochloride (CAS 28866-26-4) is a chemical compound with molecular formula C22H36Cl2N2O2 and molecular weight 430.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] acetate;dihydrochloride
Also Known As: Methyl 2-(piperidin-4-yl)acetate dihydrochloride, 4-Phenyl-5-piperidinomethyl-1,2,5-trimethyl-4-piperidinol, acetate, dihydrochloride, 4-Hydroxy-4-phenyl-5-piperidinomethyl-1,2,5-trimethylpiperidine, acetate, dihydrochloride, 4-Piperidinol, 4-phenyl-5-piperidinomethyl-1,2,5-trimethyl-, acetate, dihydrochloride, [1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] acetate dihydrochloride
| Molecular Formula | C22H36Cl2N2O2 |
|---|---|
| Molecular Weight | 430.22 g/mol |
| LogP | 4.5048 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.2154 |
| Heavy Atoms | 28 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 28866-26-4 |
|---|---|
| SMILES | CC1CC(C(CN1C)(C)CN2CCCCC2)(C3=CC=CC=C3)OC(=O)C.Cl.Cl |
| InChIKey | MXQMVCLSIAOGSN-UHFFFAOYSA-N |
Product Overview
Methyl 2-(piperidin-4-yl)acetate dihydrochloride (CAS 28866-26-4), with molecular formula C22H36Cl2N2O2 and molecular weight 430.22 g/mol. IUPAC: [1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] acetate;dihydrochloride.
Chemical Property Profile of Methyl 2-(piperidin-4-yl)acetate dihydrochloride
Property Insights of Methyl 2-(piperidin-4-yl)acetate dihydrochloride
The XLogP value of 4.5048 indicates that Methyl 2-(piperidin-4-yl)acetate dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, Methyl 2-(piperidin-4-yl)acetate dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(piperidin-4-yl)acetate dihydrochloride 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 Methyl 2-(piperidin-4-yl)acetate dihydrochloride?
The CAS number of Methyl 2-(piperidin-4-yl)acetate dihydrochloride is 28866-26-4.
What is the molecular formula of Methyl 2-(piperidin-4-yl)acetate dihydrochloride?
The molecular formula of Methyl 2-(piperidin-4-yl)acetate dihydrochloride is C22H36Cl2N2O2.
What is the molecular weight of Methyl 2-(piperidin-4-yl)acetate dihydrochloride?
The molecular weight of Methyl 2-(piperidin-4-yl)acetate dihydrochloride is 430.22 g/mol.
Where can I buy Methyl 2-(piperidin-4-yl)acetate dihydrochloride?
You can request a quote for Methyl 2-(piperidin-4-yl)acetate dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(piperidin-4-yl)acetate dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(piperidin-4-yl)acetate dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.