2-((1-(4-Methoxy-2,6-dimethylphenylsulfonyl)piperidin-2-yl)methoxy)-1-(4-(1-methyl-piperidin-4-yl)piperazin-1-yl)ethanone dihydrochloride

HCID 24945573
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Basic information

Standard SMILES
COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCN(C3CCN(C)CC3)CC2)c(C)c1.Cl.Cl
InChIKey
UMITVAXORSDTRI-UHFFFAOYSA-N
Molecular formula
C27H46Cl2N4O5S
Average molar mass
609.6 g/mol
Monoisotopic mass
608.2565971

Names & identifiers

Preferred name
2-((1-(4-Methoxy-2,6-dimethylphenylsulfonyl)piperidin-2-yl)methoxy)-1-(4-(1-methyl-piperidin-4-yl)piperazin-1-yl)ethanone dihydrochloride
IUPAC
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone;dihydrochloride

Names & synonyms

SCHEMBL2569018UMITVAXORSDTRI-UHFFFAOYSA-N2-((1-(4-methoxy-2,6-dimethylphenylsulfonyl)piperidin-2-yl)methoxy)-1-(4-(1-methyl-piperidin-4-yl)piperazin-1-yl)ethanone dihydrochloride

Database identifiers

PubChem CID
24945573

Properties

Computed structural properties

Topological polar surface area
91 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
39

Related reactions

1 records
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Compound notes

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