3-Methyl-1-(piperidin-1-yl)oct-4-yn-3-ol--hydrogen chloride (1/1)
Basic information
- CAS
53310-27-3- Standard SMILES
CCCC#CC(C)(O)CC[NH+]1CCCCC1.[Cl-]- InChIKey
HOHKURLNYQXITA-UHFFFAOYSA-N- Molecular formula
- C14H26ClNO
- Average molar mass
- 259.81 g/mol
- Monoisotopic mass
- 259.1702921
Names & identifiers
- Preferred name
- 3-Methyl-1-(piperidin-1-yl)oct-4-yn-3-ol--hydrogen chloride (1/1)
- IUPAC
- 3-methyl-1-piperidin-1-ium-1-yloct-4-yn-3-ol chloride
Names & synonyms
53310-27-3DTXSID30967915RefChem:1068171DTXCID2013955093-Methyl-1-(piperidin-1-yl)oct-4-yn-3-ol--hydrogen chloride (1/1)3-Methyl-8-(1-piperidinyl)-4-octyn-3-ol hydrochloride4-OCTYN-3-OL, 3-METHYL-8-(1-PIPERIDINYL)-, HYDROCHLORIDE
Database identifiers
- CAS
53310-27-3- PubChem CID
- 40725
Properties
Computed structural properties
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
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Compound notes
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