3-(3-Piperidinomethylbenzylthio)propionitrile

HCID 21294535
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Basic information

Standard SMILES
N#CCCSCc1cccc(CN2CCCCC2)c1
InChIKey
XVXPVFSFEILNCI-UHFFFAOYSA-N
Molecular formula
C16H22N2S
Average molar mass
274.4 g/mol
Monoisotopic mass
274.15036988

Names & identifiers

Preferred name
3-(3-Piperidinomethylbenzylthio)propionitrile
IUPAC
3-[[3-(piperidin-1-ylmethyl)phenyl]methylsulfanyl]propanenitrile

Names & synonyms

SCHEMBL10668832XVXPVFSFEILNCI-UHFFFAOYSA-N3-(3-piperidinomethylbenzylthio)propionitrile

Database identifiers

PubChem CID
21294535

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
52.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
19

Related reactions

1 records
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Compound notes

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