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Ditert-butyl 2-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)piperazine-1,4-dicarboxylate (HCID 77890860)|Huagongshe
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Compound
Ditert-butyl 2-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)piperazine-1,4-dicarboxylate
HCID
77890860
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Reactions
Basic information
Names & identifiers
Properties
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Basic information
Standard SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C(C(=O)N2C3CCC2COC3)C1
InChIKey
MUSZFDJQBKLIPW-UHFFFAOYSA-N
Molecular formula
C21H35N3O6
Average molar mass
425.5 g/mol
Names & identifiers
Preferred name
Ditert-butyl 2-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)piperazine-1,4-dicarboxylate
IUPAC
ditert-butyl 2-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)piperazine-1,4-dicarboxylate
Database identifiers
PubChem CID
77890860
Properties
Computed structural properties
XLogP
1.6
Topological polar surface area
88.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Formal charge
0
Complexity
671
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Related reactions
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As product
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As solvent
HRID
100145
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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