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Tert-butyl 4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylate

HCID 69652175
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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
New reaction record
HRID 681207 reaction equation
HRID 681207As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 932346 reaction equation
HRID 932346As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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