AC1L3WOB
3-[6-(4-hydroxy-2,2,5-trimethylpiperidin-1-yl)-2-methylhexa-3,5-diyn-2-yl]oxypropanenitrile;hydrochloride
Also Known As: 3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride|Propanenitrile, 3-((5-(4-hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)-, monohydrochloride|3-[6-(4-hydroxy-2,2,5-trimethylpiperidin-1-yl)-2-methylhexa-3,5-diyn-2-yl]oxypropanenitrile hydrochloride|3-{[6-(4-Hydroxy-2,2,5-trimethylpiperidin-1-yl)-2-methylhexa-3,5-diyn-2-yl]oxy}propanenitrile--hydrogen chloride (1/1)|Propanenitrile, 3-[[5-(4-hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl]oxy]-, monohydrochloride
| Molecular Formula | C18H27ClN2O2 |
|---|---|
| Molecular Weight | 338.17612 g/mol |
| LogP | 2.56268 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.17612 |
| Monoisotopic Mass | 338.17612 |
| Heavy Atoms | 23 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 37697-57-7 |
|---|---|
| SMILES | CC1CN(C(CC1O)(C)C)C#CC#CC(C)(C)OCCC#N.Cl |
| InChIKey | PPOLXUQKJZNFBR-UHFFFAOYSA-N |
Product Overview
AC1L3WOB (CAS 37697-57-7), with molecular formula C18H27ClN2O2 and molecular weight 338.17612 g/mol. IUPAC: 3-[6-(4-hydroxy-2,2,5-trimethylpiperidin-1-yl)-2-methylhexa-3,5-diyn-2-yl]oxypropanenitrile;hydrochloride.
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