Basic information
- Standard SMILES
Cc1ccccc1C1(C#N)CCNCC1- InChIKey
SXQORFLMYVJAKD-UHFFFAOYSA-N- Molecular formula
- C13H16N2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.13134852
Names & identifiers
- Preferred name
- 4-o-Tolylpiperidine-4-carbonitrile
- IUPAC
- 4-(2-methylphenyl)piperidine-4-carbonitrile
Names & synonyms
4-o-tolylpiperidine-4-carbonitrile191328-20-8SCHEMBL76570494-cyano-4-(o-tolyl)piperidineSXQORFLMYVJAKD-UHFFFAOYSA-N4-cyano-4-(2-methylphenyl)piperidineAKOS015330116DS-001383L016677
Database identifiers
- PubChem CID
- 10176570
- Nikkaji
- J1.551.897I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 257
Related reactions
4 records
Compound notes
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