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1-(5-Ethynylpyridin-2-yl)-4-methylpiperazine

HCID 86658828
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C#Cc1ccc(N2CCN(C)CC2)nc1
InChIKey
OILUJPMEHSBBQL-UHFFFAOYSA-N
Molecular formula
C12H15N3
Average molar mass
201.27 g/mol

Names & identifiers

Preferred name
1-(5-Ethynylpyridin-2-yl)-4-methylpiperazine
IUPAC
1-(5-ethynyl-2-pyridinyl)-4-methylpiperazine

Names & synonyms

SCHEMBL5784981-(5-ethynylpyridin-2-yl)-4-methylpiperazine

Database identifiers

PubChem CID
86658828

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
19.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
247

Related reactions

6 records
New reaction record
HRID 447301 reaction equation
HRID 447301As productuspto-grants-2013_07
HRID 447447 reaction equation
HRID 447447As productuspto-grants-2013_07
HRID 1204607 reaction equation
HRID 1204607As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1466263 reaction equation
HRID 1466263As productuspto-grants-2015_04
HRID 2281714 reaction equation
HRID 2281714As productuspto-grants-2015_09
HRID 2383581 reaction equation
HRID 2383581As productuspto-grants-2012_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes