3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride
Basic information
- CAS
37697-57-7- Standard SMILES
CC1CN(C#CC#CC(C)(C)OCCC#N)C(C)(C)CC1O.Cl- InChIKey
PPOLXUQKJZNFBR-UHFFFAOYSA-N- Molecular formula
- C18H27ClN2O2
- Average molar mass
- 338.9 g/mol
- Monoisotopic mass
- 338.1761058
Names & identifiers
- Preferred name
- 3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride
- IUPAC
- 3-[6-(4-hydroxy-2,2,5-trimethylpiperidin-1-yl)-2-methylhexa-3,5-diyn-2-yl]oxypropanenitrile;hydrochloride
Names & synonyms
37697-57-73-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochlorideDTXSID20958736Propanenitrile, 3-((5-(4-hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)-, monohydrochloride3-{[6-(4-Hydroxy-2,2,5-trimethylpiperidin-1-yl)-2-methylhexa-3,5-diyn-2-yl]oxy}propanenitrile--hydrogen chloride (1/1)
Database identifiers
- CAS
37697-57-7- PubChem CID
- 148221
- DTXSID
DTXSID20958736
Properties
Computed structural properties
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 570
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Compound notes
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