1-[(2-Methoxy-3-pyridyl)methyl]-4-[2-(methylsulfonyl)phenethyl]piperidine

HCID 22678558
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Basic information

Standard SMILES
COc1ncccc1CN1CCC(CCc2ccccc2S(C)(=O)=O)CC1
InChIKey
CADUSFIBJBNWRE-UHFFFAOYSA-N
Molecular formula
C21H28N2O3S
Average molar mass
388.5 g/mol

Names & identifiers

Preferred name
1-[(2-Methoxy-3-pyridyl)methyl]-4-[2-(methylsulfonyl)phenethyl]piperidine
IUPAC
2-methoxy-3-[[4-[2-(2-methylsulfonylphenyl)ethyl]piperidin-1-yl]methyl]pyridine

Names & synonyms

SCHEMBL5783200CADUSFIBJBNWRE-UHFFFAOYSA-N1-[(2-Methoxy-3-pyridyl)methyl]-4-[2-(methylsulfonyl)phenethyl]piperidine

Database identifiers

PubChem CID
22678558

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
67.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
27

Related reactions

4 records
New reaction record

Compound notes

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