3,3'-(Piperazine-1,4-diyl)dihexanedinitrile
Basic information
- CAS
102366-87-0- Standard SMILES
N#CCCC(CC#N)N1CCN(C(CC#N)CCC#N)CC1- InChIKey
LGQVPACUGWLKCJ-UHFFFAOYSA-N- Molecular formula
- C16H22N6
- Average molar mass
- 298.39 g/mol
- Monoisotopic mass
- 298.19059473
Names & identifiers
- Preferred name
- 3,3'-(Piperazine-1,4-diyl)dihexanedinitrile
- IUPAC
- 3-[4-(1,4-dicyanobutan-2-yl)piperazin-1-yl]hexanedinitrile
Names & synonyms
102366-87-0DTXSID109074103,3'-(Piperazine-1,4-diyl)dihexanedinitrileRefChem:1065544DTXCID5013365001,4-Bis(1,4-dicyano-2-butyl)piperazineAdiponitrile, 2,2'-(1,4-piperazinylene)bis-NSC659156CHEMBL2004670NSC-659156NCI60_0208241,4-Piperazinedibutanenitrile, .gamma.,.gamma.'-bis(cyanomethyl)-
Show more names
3-[4-[3-cyano-1-(cyanomethyl)propyl]piperazin-1-yl]hexanedinitrile
Database identifiers
- CAS
102366-87-0- PubChem CID
- 377589
- DTXSID
DTXSID10907410- ChEMBL
CHEMBL2004670
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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