Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro-
Basic information
- CAS
5536-41-4- Standard SMILES
CC1(C)CCN(CCCC(=O)c2ccc(F)cc2)CC1- InChIKey
GPJQPJAYHQOIJJ-UHFFFAOYSA-N- Molecular formula
- C17H24FNO
- Average molar mass
- 277.38 g/mol
- Monoisotopic mass
- 277.18419255
Names & identifiers
- Preferred name
- Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro-
- IUPAC
- 4-(4,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
Names & synonyms
K4T36YKD6RR-4457UNII-K4T36YKD6RWY-6123Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro-5536-41-41-Butanone, 4-(4,4-dimethyl-1-piperidinyl)-1-(4-fluorophenyl)-AKOS012229367Q27281961
Database identifiers
- CAS
5536-41-4- PubChem CID
- 14672
- UNII
- K4T36YKD6R
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 311
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Compound notes
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