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Tert-butyl 2-(octylcarbamoyl)piperidine-1-carboxylate (HCID 21019258)|Huagongshe
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Compound
Tert-butyl 2-(octylcarbamoyl)piperidine-1-carboxylate
HCID
21019258
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCCCCCCNC(=O)C1CCCCN1C(=O)OC(C)(C)C
InChIKey
DMRXWVHXNWXTAF-UHFFFAOYSA-N
Molecular formula
C19H36N2O3
Average molar mass
340.5 g/mol
Names & identifiers
Preferred name
Tert-butyl 2-(octylcarbamoyl)piperidine-1-carboxylate
IUPAC
tert-butyl 2-(octylcarbamoyl)piperidine-1-carboxylate
Database identifiers
PubChem CID
21019258
Properties
Computed structural properties
XLogP
4.8
Topological polar surface area
58.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
10
Heavy atoms
24
Formal charge
0
Complexity
391
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
168437
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
2330413
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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