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Benzyl 4-(2-(2,2,2-trifluoroethylidene)hydrazinyl)piperidine-1-carboxylate

HCID 69095121
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(OCc1ccccc1)N1CCC(NN=CC(F)(F)F)CC1
InChIKey
KIZZXWUIKSXHCQ-UHFFFAOYSA-N
Molecular formula
C15H18F3N3O2
Average molar mass
329.32 g/mol

Names & identifiers

Preferred name
Benzyl 4-(2-(2,2,2-trifluoroethylidene)hydrazinyl)piperidine-1-carboxylate
IUPAC
benzyl 4-[2-(2,2,2-trifluoroethylidene)hydrazinyl]piperidine-1-carboxylate

Names & synonyms

benzyl 4-(2-(2,2,2-trifluoroethylidene)hydrazinyl)piperidine-1-carboxylateSCHEMBL4564113

Database identifiers

PubChem CID
69095121

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
53.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
23
Formal charge
0
Complexity
401

Related reactions

4 records
New reaction record
HRID 119037 reaction equation
HRID 119037As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 293136 reaction equation
HRID 293136As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 2196550 reaction equation
HRID 2196550As productuspto-grants-2012_12
HRID 2196551 reaction equation
HRID 2196551As reactantuspto-grants-2012_12

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes