4-(4-Chloro-3-piperidinomethylphenoxy)butyronitrile
Basic information
- Standard SMILES
N#CCCCOc1ccc(Cl)c(CN2CCCCC2)c1- InChIKey
KQRKUYVJPSDXEO-UHFFFAOYSA-N- Molecular formula
- C16H21ClN2O
- Average molar mass
- 292.8 g/mol
Names & identifiers
- Preferred name
- 4-(4-Chloro-3-piperidinomethylphenoxy)butyronitrile
- IUPAC
- 4-[4-chloro-3-(piperidin-1-ylmethyl)phenoxy]butanenitrile
Names & synonyms
SCHEMBL10664889KQRKUYVJPSDXEO-UHFFFAOYSA-N4-(4-chloro-3-piperidinomethylphenoxy)butyronitrile
Database identifiers
- PubChem CID
- 21294569
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
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Related reactions
2 records
Compound notes
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