2-[4-[2-[4-(4-Pyridyl)piperazin-1-yl]acetyl]phenoxy]-isobutyric acid, dihydrobromide

HCID 131720105

Basic information

Standard SMILES
Br.Br.CC(C)(Oc1ccc(C(=O)CN2CCN(c3ccncc3)CC2)cc1)C(=O)O
InChIKey
JXEMCHNNMJDUTO-UHFFFAOYSA-N
Molecular formula
C21H27Br2N3O4
Average molar mass
545.3 g/mol

Names & identifiers

Preferred name
2-[4-[2-[4-(4-Pyridyl)piperazin-1-yl]acetyl]phenoxy]-isobutyric acid, dihydrobromide
IUPAC
2-methyl-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]propanoic acid;dihydrobromide

Names & synonyms

JXEMCHNNMJDUTO-UHFFFAOYSA-N2-[4-[2-[4-(4-Pyridyl)piperazin-1-yl]acetyl]phenoxy]-isobutyric acid, dihydrobromide2-[4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenoxy]isobutyric acid, dihydrobromide

Database identifiers

PubChem CID
131720105

Properties

Computed structural properties

Topological polar surface area
83 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
30

Related reactions

5 records

Compound notes

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