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tert-Butyl 4-((1-methyl-1H-imidazol-5-yl)methyl)piperazine-1-carboxylate

HCID 57897271
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1cncc1CN1CCN(C(=O)OC(C)(C)C)CC1
InChIKey
UWTIOUABAHHMRU-UHFFFAOYSA-N
Molecular formula
C14H24N4O2
Average molar mass
280.37 g/mol

Names & identifiers

Preferred name
tert-Butyl 4-((1-methyl-1H-imidazol-5-yl)methyl)piperazine-1-carboxylate
IUPAC
tert-butyl 4-[(3-methylimidazol-4-yl)methyl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL2732032UWTIOUABAHHMRU-UHFFFAOYSA-Ntert-Butyl 4-((1-methyl-1H-imidazol-5-yl)methyl)piperazine-1-carboxylate

Database identifiers

PubChem CID
57897271

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
50.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
335

Related reactions

3 records
New reaction record
HRID 177134 reaction equation
HRID 177134As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 416918 reaction equation
HRID 416918As productuspto-grants-2012_01
HRID 416919 reaction equation
HRID 416919As reactantuspto-grants-2012_01

Compound notes

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