AC1MIBN0
bis((2S,3S)-2,3-dihydroxybutanedioic acid);[2,5-dimethyl-4-phenyl-1-(3-pyrrolidin-1-ylpropyl)piperidin-4-yl] propanoate
Also Known As: 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate|(2S,3S)-2,3-Dihydroxybutanedioic acid--2,5-dimethyl-4-phenyl-1-[3-(pyrrolidin-1-yl)propyl]piperidin-4-yl propanoate (2/1)|(2S,3S)-2,3-dihydroxybutanedioic acid; [2,5-dimethyl-4-phenyl-1-(3-pyrrolidin-1-ylpropyl)piperidin-4-yl] propanoate|2,3-Dihydroxybutanedioic acid--2,5-dimethyl-4-phenyl-1-[3-(pyrrolidin-1-yl)propyl]piperidin-4-yl propanoate (2/1)
| Molecular Formula | C31H48N2O14 |
|---|---|
| Molecular Weight | 672.31055 g/mol |
| LogP | -0.1939 |
| Topological Polar Surface Area | 262.9 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 672.31055 |
| Monoisotopic Mass | 672.31055 |
| Heavy Atoms | 47 |
| Complexity | 1090.1349 |
Chemical Identifiers
| CAS Number | 54521-99-2 |
|---|---|
| SMILES | CCC(=O)OC1(CC(N(CC1C)CCCN2CCCC2)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
AC1MIBN0 (CAS 54521-99-2), with molecular formula C31H48N2O14 and molecular weight 672.31055 g/mol. IUPAC: bis((2S,3S)-2,3-dihydroxybutanedioic acid);[2,5-dimethyl-4-phenyl-1-(3-pyrrolidin-1-ylpropyl)piperidin-4-yl] propanoate.