1,4-Dipropionylpiperazine
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Basic information
- CAS
5436-89-5- Standard SMILES
CCC(=O)N1CCN(C(=O)CC)CC1- InChIKey
QEKXDZCHBZODIX-UHFFFAOYSA-N- Molecular formula
- C10H18N2O2
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.13682782
Names & identifiers
- Preferred name
- 1,4-Dipropionylpiperazine
- IUPAC
- 1-(4-propanoylpiperazin-1-yl)propan-1-one
- English name
- 1,4-Dipropionylpiperazine
- Molecular formula
- C10H18N2O2
- Molecular weight
- 198.26
Names & synonyms
1,4-Dipropionylpiperazine5436-89-5Piperazine, 1,4-dipropionyl-GU2689M2RENSC-21785RefChem:10533191-(4-propanoylpiperazin-1-yl)propan-1-oneNSC 21785BRN 15716021-Propanone, 1,1'-(1,4-piperazinediyl)bis-dipropionylpiperazineNSC21785
Show more names
1-(4-propionylpiperazin-1-yl)propan-1-one
Piperazine,4-dipropionyl-UNII-GU2689M2RECHEMBL593088SCHEMBL2739418DTXSID50969456KAA15442AKOS0034110261,1'-(Piperazine-1,4-diyl)di(propan-1-one)
Database identifiers
- CAS
5436-89-5- PubChem CID
- 95171
- DTXSID
DTXSID50969456- ChEMBL
CHEMBL593088- UNII
- GU2689M2RE
- Nikkaji
- J50.605B
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 384.2 · 384.2±35.0 °C(Predicted)
- Density
- 1.076 · 1.076±0.06 g/cm3(Predicted)
- pka
- -0.27 · -0.27±0.70(Predicted)
- FDA UNII
- 2689 M2RE · GU2689M2RE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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