Acetic acid, (2,4,6-trimethylphenoxy)-, 1,4-piperazinediyldi-3,1-propanediyl ester, dihydrochloride

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Basic information

CAS: 86746-13-6
Standard SMILES: Cc1cc(C)c(OCC(=O)OCCCN2CCN(CCCOC(=O)COc3c(C)cc(C)cc3C)CC2)c(C)c1.Cl.Cl
InChIKey: BQIKGQWRHBERMN-UHFFFAOYSA-N
Molecular formula: C32H48Cl2N2O6
Average molar mass: 627.6 g/mol
Monoisotopic mass: 626.2889426

Names & identifiers

Preferred name: Acetic acid, (2,4,6-trimethylphenoxy)-, 1,4-piperazinediyldi-3,1-propanediyl ester, dihydrochloride
IUPAC: 3-[4-[3-[2-(2,4,6-trimethylphenoxy)acetyl]oxypropyl]piperazin-1-yl]propyl 2-(2,4,6-trimethylphenoxy)acetate;dihydrochloride

Names & synonyms

Acetic acid, (2,4,6-trimethylphenoxy)-, 1,4-piperazinediyldi-3,1-propanediyl ester, dihydrochloride86746-13-6DTXSID70235802(2,4,6-Trimethylphenoxy)acetic acid 1,4-piperazinediyldi-3,1-propanediyl ester 2HClRefChem:316120DTXCID60158293(Piperazine-1,4-diyl)di(propane-3,1-diyl) bis[(2,4,6-trimethylphenoxy)acetate]--hydrogen chloride (1/2)

Database identifiers

CAS: 86746-13-6
PubChem CID: 55559
DTXSID: DTXSID70235802

Properties

Computed structural properties

Topological polar surface area: 77.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 16
Heavy atoms: 42
Formal charge: 0
Complexity: 672

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Compound notes

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