Basic information
- Standard SMILES
Cc1cc(N2CC(C)NCC2C)ccc1C#N- InChIKey
CELGQORPONHNLN-UHFFFAOYSA-N- Molecular formula
- C14H19N3
- Average molar mass
- 229.32 g/mol
- Monoisotopic mass
- 229.15789762
Names & identifiers
- Preferred name
- 4-(2,5-Dimethylpiperazin-1-yl)-2-methylbenzonitrile
- IUPAC
- 4-(2,5-dimethylpiperazin-1-yl)-2-methylbenzonitrile
Names & synonyms
SCHEMBL6859327AKOS019851107
Database identifiers
- PubChem CID
- 15516100
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
Related reactions
1 records
Compound notes
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