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2-Amino-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one (HCID 67386281)|Huagongshe
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Compound
2-Amino-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one
HCID
67386281
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(C)(C)C(N)C(=O)N1CCC(O)(c2ccccc2)CC1
InChIKey
FNSQBPKOHKTOOC-UHFFFAOYSA-N
Molecular formula
C17H26N2O2
Average molar mass
290.4 g/mol
Names & identifiers
Preferred name
2-Amino-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one
IUPAC
2-amino-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one
Names & synonyms
SCHEMBL2378948
Database identifiers
PubChem CID
67386281
Properties
Computed structural properties
XLogP
1.7
Topological polar surface area
66.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Formal charge
0
Complexity
361
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
88699
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
1204523
As product
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Compound notes
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