RefChem:1082526
(1-methylpiperidin-4-yl) 2-cyclohexyl-2-hydroxyhept-3-ynoate
Also Known As: NCI60_022738|1-Methyl-4-piperidyl cyclohexyl(4-methyl-1-butynyl)glycolate|1-Methyl-4-piperidinyl 2-cyclohexyl-2-hydroxy-3-heptynoate|Cyclohexaneglycolic acid, alpha-(3-methylbut-1-ynyl)-, 1-methyl-4-piperidyl ester|1-Methylpiperidin-4-yl 2-cyclohexyl-2-hydroxyhept-3-ynoate|(1-methyl-4-piperidyl) 2-cyclohexyl-2-hydroxy-hept-3-ynoate|(1-methylpiperidin-4-yl) 2-cyclohexyl-2-hydroxyhept-3-ynoate
| Molecular Formula | C19H31NO3 |
|---|---|
| Molecular Weight | 321.2304 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.2304 |
| Monoisotopic Mass | 321.2304 |
| Heavy Atoms | 23 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 92956-75-7 |
|---|---|
| SMILES | CCCC#CC(C1CCCCC1)(C(=O)OC2CCN(CC2)C)O |
| InChIKey | FJMAJRUJYYJVLU-UHFFFAOYSA-N |
Product Overview
RefChem:1082526 (CAS 92956-75-7), with molecular formula C19H31NO3 and molecular weight 321.2304 g/mol. IUPAC: (1-methylpiperidin-4-yl) 2-cyclohexyl-2-hydroxyhept-3-ynoate.
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