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2-(4-Cyclopentyl-piperazin-1-yl)-isonicotinonitrile

HCID 62369617
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1ccnc(N2CCN(C3CCCC3)CC2)c1
InChIKey
GBZXWJKHTQIXKN-UHFFFAOYSA-N
Molecular formula
C15H20N4
Average molar mass
256.35 g/mol
Monoisotopic mass
256.16879665

Names & identifiers

Preferred name
2-(4-Cyclopentyl-piperazin-1-yl)-isonicotinonitrile
IUPAC
2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile

Names & synonyms

SCHEMBL4183541GBZXWJKHTQIXKN-UHFFFAOYSA-N2-(4-Cyclopentyl-piperazin-1-yl)-isonicotinonitrile

Database identifiers

PubChem CID
62369617

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
43.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
333

Related reactions

6 records
New reaction record
HRID 143480 reaction equation
HRID 143480As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 157153 reaction equation
HRID 157153As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 272531 reaction equation
HRID 272531As productuspto-grants-2008_11
HRID 272532 reaction equation
HRID 272532As reactantuspto-grants-2008_11
HRID 1432143 reaction equation
HRID 1432143As productuspto-grants-2009_11
HRID 1432144 reaction equation
HRID 1432144As reactantuspto-grants-2009_11

Compound notes

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