(2S)-(-)-1-(4-indolyloxy)-3-(4-(2,6-dimethylphenyl)piperazin-1-yl)-2-propanol ethanedioate

HCID 131719666
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Basic information

Standard SMILES
Cc1cccc(C)c1N1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1.O=C(O)C(=O)O
InChIKey
PPFAUXQUIVWLIF-FYZYNONXSA-N
Molecular formula
C25H31N3O6
Average molar mass
469.5 g/mol
Monoisotopic mass
469.22128572

Names & identifiers

Preferred name
(2S)-(-)-1-(4-indolyloxy)-3-(4-(2,6-dimethylphenyl)piperazin-1-yl)-2-propanol ethanedioate
IUPAC
(2S)-1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol;oxalic acid

Names & synonyms

PPFAUXQUIVWLIF-FYZYNONXSA-N(2S)-(-)-1-(4-indolyloxy)-3-(4-(2,6-dimethylphenyl)piperazin-1-yl)-2-propanol ethanedioate

Database identifiers

PubChem CID
131719666

Properties

Computed structural properties

Topological polar surface area
126 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
34

Related reactions

6 records
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Linked notes

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