4-{5-[4-Methoxymethyl-4-(2-trifluoromethoxybenzyl)-piperidine-1-ylmethyl]-2-methylimidazol-1-ylmethyl}benzonitrile hydrochloride salt

HCID 21193166
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Basic information

Standard SMILES
COCC1(Cc2ccccc2OC(F)(F)F)CCN(Cc2cnc(C)n2Cc2ccc(C#N)cc2)CC1.Cl
InChIKey
DXIBHHGUWRXJDJ-UHFFFAOYSA-N
Molecular formula
C28H32ClF3N4O2
Average molar mass
549 g/mol

Names & identifiers

Preferred name
4-{5-[4-Methoxymethyl-4-(2-trifluoromethoxybenzyl)-piperidine-1-ylmethyl]-2-methylimidazol-1-ylmethyl}benzonitrile hydrochloride salt
IUPAC
4-[[5-[[4-(methoxymethyl)-4-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]methyl]-2-methylimidazol-1-yl]methyl]benzonitrile;hydrochloride

Names & synonyms

4-{5-[4-methoxymethyl-4-(2-trifluoromethoxybenzyl)-piperidine-1-ylmethyl]-2-methylimidazol-1-ylmethyl}benzonitrile hydrochloride saltSCHEMBL7840645

Database identifiers

PubChem CID
21193166

Properties

Computed structural properties

Topological polar surface area
63.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
38

Related reactions

2 records
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Compound notes

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