1-[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]piperidin-4-one oxime
Basic information
- CAS
1229313-08-9- Standard SMILES
ON=C1CCN(CC(O)(Cn2cncn2)c2ccc(F)cc2F)CC1- InChIKey
GILUFTNGIGIMQA-UHFFFAOYSA-N- Molecular formula
- C16H19F2N5O2
- Average molar mass
- 351.35 g/mol
- Monoisotopic mass
- 351.15068119
Names & identifiers
- Preferred name
- 1-[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]piperidin-4-one oxime
- IUPAC
- 2-(2,4-difluorophenyl)-1-(4-hydroxyiminopiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Names & synonyms
2-(2,4-Difluorophenyl)-1-[4-(hydroxyimino)piperidin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-2-olCHEMBL1088490DTXSID4011228491-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]piperidin-4-one oxime1229313-08-91-[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-4-piperidinone oxime
Database identifiers
- CAS
1229313-08-9- PubChem CID
- 46844037
- DTXSID
DTXSID401122849- ChEMBL
CHEMBL1088490
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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