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1-Methyl4-(4-prop-2-ynyl-phenyl)-piperazine

HCID 57714126
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C#CCc1ccc(N2CCN(C)CC2)cc1
InChIKey
KRFDCVQDWNDLNY-UHFFFAOYSA-N
Molecular formula
C14H18N2
Average molar mass
214.31 g/mol

Names & identifiers

Preferred name
1-Methyl4-(4-prop-2-ynyl-phenyl)-piperazine
IUPAC
1-methyl-4-(4-prop-2-ynylphenyl)piperazine

Names & synonyms

SCHEMBL3451425KRFDCVQDWNDLNY-UHFFFAOYSA-N1-methyl-4-(4-prop-2-ynyl-phenyl)-piperazine1-Methyl4-(4-prop-2-ynyl-phenyl)-piperazine

Database identifiers

PubChem CID
57714126

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
6.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
249

Related reactions

6 records
New reaction record
HRID 828269 reaction equation
HRID 828269As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 943526 reaction equation
HRID 943526As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1163010 reaction equation
HRID 1163010As productuspto-grants-2010_10
HRID 1163011 reaction equation
HRID 1163011As reactantuspto-grants-2010_10
HRID 1984235 reaction equation
HRID 1984235As productuspto-grants-2009_06
HRID 1984236 reaction equation
HRID 1984236As reactantuspto-grants-2009_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes