2-Chloro-1-[4-(2-cyanophenyl)piperazin-1-yl]ethanone

HCID 10400554
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Basic information

Standard SMILES
N#Cc1ccccc1N1CCN(C(=O)CCl)CC1
InChIKey
UPIARRWEWDORGB-UHFFFAOYSA-N
Molecular formula
C13H14ClN3O
Average molar mass
263.72 g/mol

Names & identifiers

Preferred name
2-Chloro-1-[4-(2-cyanophenyl)piperazin-1-yl]ethanone
IUPAC
2-[4-(2-chloroacetyl)piperazin-1-yl]benzonitrile

Names & synonyms

177488-98-1UPIARRWEWDORGB-UHFFFAOYSA-NDA-091902-chloro-1-[4-(2-cyanophenyl)piperazin-1-yl]ethanoneZ1562134936

Database identifiers

PubChem CID
10400554

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
47.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
18

Related reactions

1 records
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Compound notes

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