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1-(2-Chloropyridin-4-ylmethyl)-4-acetylpiperazine

HCID 58285182
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)N1CCN(Cc2ccnc(Cl)c2)CC1
InChIKey
ANPHNALRNMEIBE-UHFFFAOYSA-N
Molecular formula
C12H16ClN3O
Average molar mass
253.73 g/mol

Names & identifiers

Preferred name
1-(2-Chloropyridin-4-ylmethyl)-4-acetylpiperazine
IUPAC
1-[4-[(2-chloro-4-pyridinyl)methyl]piperazin-1-yl]ethanone

Names & synonyms

1-(2-Chloropyridin-4-ylmethyl)-4-acetylpiperazineSCHEMBL1820620ANPHNALRNMEIBE-UHFFFAOYSA-NAKOS011324089

Database identifiers

PubChem CID
58285182

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
36.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
266

Related reactions

4 records
New reaction record
HRID 308472 reaction equation
HRID 308472As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1257110 reaction equation
HRID 1257110As productuspto-grants-2013_06
HRID 1257126 reaction equation
HRID 1257126As reactantuspto-grants-2013_06
HRID 2328394 reaction equation
HRID 2328394As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes