1-(3-Chloropropyl)-4-(2-pyridylmethyl)-2,6-piperazinedione

HCID 19915752
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Basic information

Standard SMILES
O=C1CN(Cc2ccccn2)CC(=O)N1CCCCl
InChIKey
MINGJVUIGULYFC-UHFFFAOYSA-N
Molecular formula
C13H16ClN3O2
Average molar mass
281.74 g/mol
Monoisotopic mass
281.0931045

Names & identifiers

Preferred name
1-(3-Chloropropyl)-4-(2-pyridylmethyl)-2,6-piperazinedione
IUPAC
1-(3-chloropropyl)-4-(pyridin-2-ylmethyl)piperazine-2,6-dione

Names & synonyms

SCHEMBL9631127MINGJVUIGULYFC-UHFFFAOYSA-N1-(3-chloropropyl)-4-(2-pyridylmethyl)-2,6-piperazinedione

Database identifiers

PubChem CID
19915752

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
53.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
19

Related reactions

2 records
New reaction record

Compound notes

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