4-(2-Chloro-3-piperidinomethylphenoxy)butyronitrile

HCID 21294553
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Basic information

Standard SMILES
N#CCCCOc1cccc(CN2CCCCC2)c1Cl
InChIKey
FJXWLCYOKZEAHJ-UHFFFAOYSA-N
Molecular formula
C16H21ClN2O
Average molar mass
292.8 g/mol

Names & identifiers

Preferred name
4-(2-Chloro-3-piperidinomethylphenoxy)butyronitrile
IUPAC
4-[2-chloro-3-(piperidin-1-ylmethyl)phenoxy]butanenitrile

Names & synonyms

SCHEMBL10663470FJXWLCYOKZEAHJ-UHFFFAOYSA-N4-(2-chloro-3-piperidinomethylphenoxy)butyronitrile

Database identifiers

PubChem CID
21294553

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

Related reactions

2 records
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Compound notes

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