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Basic information
- Standard SMILES
N#CC1(c2ccccc2)CCC(N2CCNCC2)CC1- InChIKey
OLYNIWCSYYBRCQ-UHFFFAOYSA-N- Molecular formula
- C17H23N3
- Average molar mass
- 269.4 g/mol
- Monoisotopic mass
- 269.18919775
Names & identifiers
- Preferred name
- 1-Phenyl-4-piperazin-1-yl-cyclohexanecarbonitrile
- IUPAC
- 1-phenyl-4-piperazin-1-ylcyclohexane-1-carbonitrile
Names & synonyms
SCHEMBL6963361SCHEMBL9435475OLYNIWCSYYBRCQ-UHFFFAOYSA-N1-Phenyl-4-piperazin-1-yl-cyclohexanecarbonitrile
Database identifiers
- PubChem CID
- 22993456
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Related reactions
5 records
Compound notes
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