3-Methyl-4-(piperazin-1-yl)benzonitrile
Basic information
- Standard SMILES
Cc1cc(C#N)ccc1N1CCNCC1- InChIKey
NVVKOLAQIQGBJW-UHFFFAOYSA-N- Molecular formula
- C12H15N3
- Average molar mass
- 201.27 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-4-(piperazin-1-yl)benzonitrile
- IUPAC
- 3-methyl-4-piperazin-1-ylbenzonitrile
Names & synonyms
3-methyl-4-(piperazin-1-yl)benzonitrile851000-32-3SCHEMBL531910SCHEMBL1366770SCHEMBL31514814NVVKOLAQIQGBJW-UHFFFAOYSA-NGS1408AT15702A1-29525
Database identifiers
- PubChem CID
- 60051142
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
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Related reactions
15 records
Compound notes
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