Isonipecotic acid, 1-(2-morpholinoethyl)-4-phenyl-, ethyl ester, dihydrochloride
TL;DR: Isonipecotic acid, 1-(2-morpholinoethyl)-4-phenyl-, ethyl ester, dihydrochloride (CAS 110051-57-5) is a chemical compound with molecular formula C20H32Cl2N2O3 and molecular weight 418.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2-morpholin-4-ylethyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride
Also Known As: Morpheridine HCl, Morpheridine hydrochloride, Morpheridine dihydrochloride, TA 1, NIOSH/NS6125000
| Molecular Formula | C20H32Cl2N2O3 |
|---|---|
| Molecular Weight | 418.18 g/mol |
| LogP | 2.7591 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.179 |
| Heavy Atoms | 27 |
| Complexity | 545.4176 |
Chemical Identifiers
| CAS Number | 110051-57-5 |
|---|---|
| SMILES | CCOC(=O)C1(CCN(CC1)CCN2CCOCC2)C3=CC=CC=C3.Cl.Cl |
Product Overview
Isonipecotic acid, 1-(2-morpholinoethyl)-4-phenyl-, ethyl ester, dihydrochloride (CAS 110051-57-5), with molecular formula C20H32Cl2N2O3 and molecular weight 418.18 g/mol. IUPAC: ethyl 1-(2-morpholin-4-ylethyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride.
Chemical Property Profile of Isonipecotic acid, 1-(2-morpholinoethyl)-4-phenyl-, ethyl ester, dihydrochloride
Property Insights of Isonipecotic acid, 1-(2-morpholinoethyl)-4-phenyl-, ethyl ester, dihydrochloride
The XLogP value of 2.7591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isonipecotic acid, 1-(2-morpholinoethyl)-4-phenyl-, ethyl ester, dihydrochloride. With a topological polar surface area (TPSA) of 42.01 Ų, Isonipecotic acid, 1-(2-morpholinoethyl)-4-phenyl-, ethyl ester, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonipecotic acid, 1-(2-morpholinoethyl)-4-phenyl-, ethyl ester, dihydrochloride 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 Isonipecotic acid, 1-(2-morpholinoethyl)-4-phenyl-, ethyl ester, dihydrochloride?
The CAS number of Isonipecotic acid, 1-(2-morpholinoethyl)-4-phenyl-, ethyl ester, dihydrochloride is 110051-57-5.
What is the molecular formula of Isonipecotic acid, 1-(2-morpholinoethyl)-4-phenyl-, ethyl ester, dihydrochloride?
The molecular formula of Isonipecotic acid, 1-(2-morpholinoethyl)-4-phenyl-, ethyl ester, dihydrochloride is C20H32Cl2N2O3.
What is the molecular weight of Isonipecotic acid, 1-(2-morpholinoethyl)-4-phenyl-, ethyl ester, dihydrochloride?
The molecular weight of Isonipecotic acid, 1-(2-morpholinoethyl)-4-phenyl-, ethyl ester, dihydrochloride is 418.18 g/mol.
Where can I buy Isonipecotic acid, 1-(2-morpholinoethyl)-4-phenyl-, ethyl ester, dihydrochloride?
You can request a quote for Isonipecotic acid, 1-(2-morpholinoethyl)-4-phenyl-, ethyl ester, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonipecotic acid, 1-(2-morpholinoethyl)-4-phenyl-, ethyl ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isonipecotic acid, 1-(2-morpholinoethyl)-4-phenyl-, ethyl ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.