1-Propanone, 1,1'-(1,4-piperazinediylbis((2-hydroxy-3,1-propanediyl)oxy)-4,1-phenylene)bis-
Basic information
- CAS
36115-90-9- Standard SMILES
CCC(=O)c1ccc(OCC(O)CN2CCN(CC(O)COc3ccc(C(=O)CC)cc3)CC2)cc1- InChIKey
QYFFNWKKZOLFQH-UHFFFAOYSA-N- Molecular formula
- C28H38N2O6
- Average molar mass
- 498.6 g/mol
- Monoisotopic mass
- 498.27298694
Names & identifiers
- Preferred name
- 1-Propanone, 1,1'-(1,4-piperazinediylbis((2-hydroxy-3,1-propanediyl)oxy)-4,1-phenylene)bis-
- IUPAC
- 1-[4-[2-hydroxy-3-[4-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperazin-1-yl]propoxy]phenyl]propan-1-one
Names & synonyms
BRN 05935231,1'-(1,4-Piperazinediylbis((2-hydroxy-3,1-propanediyl)oxy)-4,1-phenylene)bis(1-propanone)36115-90-95-23-02-00151 (Beilstein Handbook Reference)1-Propanone, 1,1'-(1,4-piperazinediylbis((2-hydroxy-3,1-propanediyl)oxy)-4,1-phenylene)bis-RefChem:234711DTXSID40957524AKOS0009189731,1'-{Piperazine-1,4-diylbis[(2-hydroxypropane-3,1-diyl)oxy-4,1-phenylene]}di(propan-1-one)
Database identifiers
- CAS
36115-90-9- PubChem CID
- 215719
- DTXSID
DTXSID40957524
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 596
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Compound notes
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