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1-[3-(4-Cyanophenyl)propyl]piperazine

HCID 20074091
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
N#Cc1ccc(CCCN2CCNCC2)cc1
InChIKey
FYSRMNMNEZWSNJ-UHFFFAOYSA-N
Molecular formula
C14H19N3
Average molar mass
229.32 g/mol

Names & identifiers

Preferred name
1-[3-(4-Cyanophenyl)propyl]piperazine
IUPAC
4-(3-piperazin-1-ylpropyl)benzonitrile

Names & synonyms

SCHEMBL9819913FYSRMNMNEZWSNJ-UHFFFAOYSA-N1-[3-(4-cyanophenyl)propyl]piperazine

Database identifiers

PubChem CID
20074091

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
39.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
254

Related reactions

2 records
New reaction record
HRID 704406 reaction equation
HRID 704406As productuspto-grants-1991_01
HRID 2342817 reaction equation
HRID 2342817As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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