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1-(4-Benzyl-piperidin-1-yl)-2-phenylamino-ethanone

HCID 39444731
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(CNc1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIKey
GCRIJAJPYQVOEN-UHFFFAOYSA-N
Molecular formula
C20H24N2O
Average molar mass
308.4 g/mol

Names & identifiers

Preferred name
1-(4-Benzyl-piperidin-1-yl)-2-phenylamino-ethanone
IUPAC
2-anilino-1-(4-benzylpiperidin-1-yl)ethanone

Names & synonyms

SCHEMBL4577310GCRIJAJPYQVOEN-UHFFFAOYSA-N1-(4-Benzyl-piperidin-1-yl)-2-phenylamino-ethanone

Database identifiers

PubChem CID
39444731

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
32.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
23
Formal charge
0
Complexity
351

Related reactions

2 records
New reaction record
HRID 702191 reaction equation
HRID 702191As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2115132 reaction equation
HRID 2115132As productuspto-grants-2008_10

Compound notes

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