Basic information
- Standard SMILES
N#CCCCSc1cccc(CN2CCCCC2)c1- InChIKey
MACCYSRLVPAJIO-UHFFFAOYSA-N- Molecular formula
- C16H22N2S
- Average molar mass
- 274.4 g/mol
Names & identifiers
- Preferred name
- 4-(3-Piperidinomethylphenylthio)butyronitrile
- IUPAC
- 4-[3-(piperidin-1-ylmethyl)phenyl]sulfanylbutanenitrile
Names & synonyms
SCHEMBL10665320MACCYSRLVPAJIO-UHFFFAOYSA-N4-(3-piperidinomethylphenylthio)butyronitrile
Database identifiers
- PubChem CID
- 21294554
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 290
Related reactions
2 records
Compound notes
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