3-Phenyl-5-(2-piperidinoethyl)isoxazole
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;3-phenyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole
Also Known As: 3-Phenyl-5-(2-piperidinoethyl)isoxazole citrate, Sid 156840, 1-caproyl-L-lysophosphatidylcholine, 3-Phenyl-5-(2-piperidinoethyl)isoxazole, ISOXAZOLE, 3-PHENYL-5-(2-PIPERIDINOETHYL)-, CITRATE, 3-phenyl-5-(2-piperidin-1-ylethyl)-1,2-oxazole, 3-PHENYL-5-(2-PIPERIDIN-1-YLETHYL)ISOXAZOLE, ISOXAZOLE,3-PHENYL-5-(2-PIPERIDINOETHYL)-,CITRATE, 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;3-phenyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole, 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate,3-phenyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole, 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; 3-phenyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole, Piperidine, 1-[2-(3-phenyl-5-isoxazolyl)ethyl]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
| Molecular Formula | C22H28N2O8 |
|---|---|
| Molecular Weight | 448.18457 g/mol |
| LogP | -0.63 |
| Topological Polar Surface Area | 165.43 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 448.18457 |
| Heavy Atoms | 32 |
| Complexity | 874 |
Chemical Identifiers
| CAS Number | 912-12-9 |
|---|---|
| SMILES | C1CC[NH+](CC1)CCC2=CC(=NO2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
Product Overview
3-Phenyl-5-(2-piperidinoethyl)isoxazole (CAS 912-12-9), with molecular formula C22H28N2O8 and molecular weight 448.18457 g/mol. IUPAC: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;3-phenyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole.
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