Basic information
- CAS
84604-68-2- Standard SMILES
O=C(CCN1CCNCC1)c1ccccc1- InChIKey
GZXSVSMPRXVXNJ-UHFFFAOYSA-N- Molecular formula
- C13H18N2O
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.1419132
Names & identifiers
- Preferred name
- 3-(1-Piperazinyl)propiophenone
- IUPAC
- 1-phenyl-3-piperazin-1-ylpropan-1-one
- English name
- 3-(1-piperazinyl)propiophenone
- Molecular formula
- C13H18N2O
- Molecular weight
- 218.29
Names & synonyms
3-(1-Piperazinyl)propiophenone84604-68-21-PHENYL-3-(PIPERAZIN-1-YL)PROPAN-1-ONE1-phenyl-3-piperazin-1-ylpropan-1-oneEINECS 283-350-91-Propanone,1-phenyl-3-(1-piperazinyl)-1-phenyl-3-(1-piperazinyl)-1-propanone1-Propanone, 1-phenyl-3-(1-piperazinyl)-SCHEMBL5597718DTXSID10233589GZXSVSMPRXVXNJ-UHFFFAOYSA-NE5SG444X77
Show more names
1-(2-Benzoylethyl)piperazine1-Phenyl-3-(piperazin-1-yl)propan-1-one ,98%
Propiophenone, 3-(1-piperazinyl)-AKOS015840586
Database identifiers
- CAS
84604-68-2- PubChem CID
- 415408
- DTXSID
DTXSID10233589- UNII
- E5SG444X77
- EC Number
- 283-350-9
- Nikkaji
- J307.989I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 365.4 · 365.4±27.0 °C(Predicted)
- Density
- 1.054 · 1.054±0.06 g/cm3(Predicted)
- pka
- 9.14 · 9.14±0.10(Predicted)
- FDA UNII
- 5 SG444X77 · E5SG444X77
Chemistry & industry
Suppliers1 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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