Basic information
- CAS
20800-23-1- Standard SMILES
C.CCCC(=O)c1ccc(OCC[NH+]2CCCCC2)cc1O.[Cl-]- InChIKey
ZLBNNMGDANOYEZ-UHFFFAOYSA-N- Molecular formula
- C18H30ClNO3
- Average molar mass
- 343.9 g/mol
- Monoisotopic mass
- 343.1914215
Names & identifiers
- Preferred name
- Butyrophenone, 2'-hydroxy-4'-(2-piperidinoethoxy)-, hydrochloride
- IUPAC
- 1-[2-hydroxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one;methane;chloride
Names & synonyms
Butyrophenone, 6'-hydroxy-4'-(2-piperidinoethoxy)-, hydrochloride2'-Hydroxy-4'-(2-piperidinoethoxy)butyrophenone hydrochlorideBUTYROPHENONE, 2'-HYDROXY-4'-(2-PIPERIDINOETHOXY)-, HYDROCHLORIDE20800-23-1RefChem:331372
Database identifiers
- CAS
20800-23-1- PubChem CID
- 30265
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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