AC1MIBN3
bis((2S,3S)-2,3-dihydroxybutanedioic acid);[2,5-dimethyl-4-phenyl-1-(3-piperidin-1-ylpropyl)piperidin-4-yl] propanoate
Also Known As: C24H38N2O2.2C4H6O6.1/2H2O|4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-piperidinopropyl)-, propanoate (ester), ditartrate|4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-piperidinopropyl)-, propionate (ester), ditartrate,hemihydrate|C24-H38-N2-O2.2C4-H6-O6.1/2H2-O|(2S,3S)-2,3-Dihydroxybutanedioic acid--2,5-dimethyl-4-phenyl-1-[3-(piperidin-1-yl)propyl]piperidin-4-yl propanoate (2/1)|(2S,3S)-2,3-dihydroxybutanedioic acid; [2,5-dimethyl-4-phenyl-1-(3-piperidin-1-ylpropyl)piperidin-4-yl] propanoate|2,3-Dihydroxybutanedioic acid--2,5-dimethyl-4-phenyl-1-[3-(piperidin-1-yl)propyl]piperidin-4-yl propanoate (2/1)
| Molecular Formula | C32H50N2O14 |
|---|---|
| Molecular Weight | 686.32623 g/mol |
| LogP | 0.1962 |
| Topological Polar Surface Area | 262.9 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 686.32623 |
| Monoisotopic Mass | 686.32623 |
| Heavy Atoms | 48 |
| Complexity | 1106.6046 |
Chemical Identifiers
| CAS Number | 54522-01-9 |
|---|---|
| SMILES | CCC(=O)OC1(CC(N(CC1C)CCCN2CCCCC2)C)C3=CC=CC=C3.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O |
Product Overview
AC1MIBN3 (CAS 54522-01-9), with molecular formula C32H50N2O14 and molecular weight 686.32623 g/mol. IUPAC: bis((2S,3S)-2,3-dihydroxybutanedioic acid);[2,5-dimethyl-4-phenyl-1-(3-piperidin-1-ylpropyl)piperidin-4-yl] propanoate.