Basic information
- Standard SMILES
CC(=O)N1CCC(O)(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1- InChIKey
CXFWTGVWTJSBKN-UHFFFAOYSA-N- Molecular formula
- C19H28BNO4
- Average molar mass
- 345.2 g/mol
Names & identifiers
- Preferred name
- 1-Acetyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-ol
- IUPAC
- 1-[4-hydroxy-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-1-yl]ethanone
Names & synonyms
SCHEMBL578955CXFWTGVWTJSBKN-UHFFFAOYSA-N1-acetyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-ol
Database identifiers
- PubChem CID
- 66730583
Properties
Computed structural properties
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 490
Related reactions
1 records
Compound notes
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