Basic information
- CAS
169776-69-6- Standard SMILES
CC(C)(CN1CCCCC1)C(=O)C=Cc1ccccc1.Cl- InChIKey
WDQXQEPXPWTHQG-UHFFFAOYSA-N- Molecular formula
- C18H26ClNO
- Average molar mass
- 307.9 g/mol
- Monoisotopic mass
- 307.1702921
Names & identifiers
- Preferred name
- 1-Penten-3-one, 4,4-dimethyl-1-phenyl-5-(1-piperidinyl)-, hydrochloride
- IUPAC
- 4,4-dimethyl-1-phenyl-5-piperidin-1-ylpent-1-en-3-one;hydrochloride
Names & synonyms
1-Penten-3-one, 4,4-dimethyl-1-phenyl-5-(1-piperidinyl)-, hydrochloride169776-69-6DTXSID003273004,4-Dimethyl-1-phenyl-5-(piperidin-1-yl)pent-1-en-3-one--hydrogen chloride (1/1)
Database identifiers
- CAS
169776-69-6- PubChem CID
- 370641
- DTXSID
DTXSID00327300
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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