Basic information
- Standard SMILES
N#CCN1CCN(c2ccccc2)CC1- InChIKey
ONNCTSYEIOXVCV-UHFFFAOYSA-N- Molecular formula
- C12H15N3
- Average molar mass
- 201.27 g/mol
- Monoisotopic mass
- 201.12659749
Names & identifiers
- Preferred name
- 2-(4-Phenylpiperazin-1-yl)acetonitrile
- IUPAC
- 2-(4-phenylpiperazin-1-yl)acetonitrile
Names & synonyms
2-(4-phenylpiperazin-1-yl)acetonitrile1-Piperazineacetonitrile, 4-phenyl-65884-01-7CHEMBL230028SCHEMBL13078551-Cyanomethyl-4-phenylpiperazineONNCTSYEIOXVCV-UHFFFAOYSA-NAKOS000174673(4-Phenyl-piperazin-1-yl)-acetonitrileDB-337666
Database identifiers
- PubChem CID
- 437238
- ChEMBL
CHEMBL230028- Nikkaji
- J1.185.329C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 228
Related reactions
5 records
Compound notes
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