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Compound
Tert-butyl 4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylate
HCID
69652175
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Basic information
Names & identifiers
Properties
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Basic information
Standard SMILES
CC(C)(C)OC(=O)N1CCC(CN(Cc2ccccc2)Cc2ccccc2)C(O)C1
InChIKey
OXISFWQSEZOXCO-UHFFFAOYSA-N
Molecular formula
C25H34N2O3
Average molar mass
410.5 g/mol
Names & identifiers
Preferred name
Tert-butyl 4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylate
IUPAC
tert-butyl 4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylate
Names & synonyms
SCHEMBL6066022
Database identifiers
PubChem CID
69652175
Properties
Computed structural properties
XLogP
3.9
Topological polar surface area
53 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
30
Formal charge
0
Complexity
501
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
681207
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
932346
As product
Validation data from https://doi.org/10.1039/C8SC04228D
Compound notes
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