4-(2,5-Dimethylpiperazin-1-yl)-2-(trifluoromethyl)benzonitrile

HCID 15516096
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Basic information

Standard SMILES
CC1CN(c2ccc(C#N)c(C(F)(F)F)c2)C(C)CN1
InChIKey
XSUSILNKXHRYEW-UHFFFAOYSA-N
Molecular formula
C14H16F3N3
Average molar mass
283.29 g/mol

Names & identifiers

Preferred name
4-(2,5-Dimethylpiperazin-1-yl)-2-(trifluoromethyl)benzonitrile
IUPAC
4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)benzonitrile

Names & synonyms

SCHEMBL4595728XSUSILNKXHRYEW-UHFFFAOYSA-N262295-56-7AKOS0143140744-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)benzonitrile

Database identifiers

PubChem CID
15516096

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
39.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
20

Related reactions

3 records
New reaction record

Linked notes

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