Basic information
- CAS
4620-54-6- Standard SMILES
CC(=CC(=O)c1ccccc1)N1CCCCC1- InChIKey
BDPXLOXBGREKNJ-UHFFFAOYSA-N- Molecular formula
- C15H19NO
- Average molar mass
- 229.32 g/mol
- Monoisotopic mass
- 229.14666423
Names & identifiers
- Preferred name
- 2-Buten-1-one, 1-phenyl-3-(1-piperidinyl)-
- IUPAC
- 1-phenyl-3-piperidin-1-ylbut-2-en-1-one
- English name
- 1-Phenyl-3-piperidino-2-buten-1-one
- Molecular formula
- C15H19NO
- Molecular weight
- 229.32
Names & synonyms
4620-54-62-Buten-1-one, 1-phenyl-3-(1-piperidinyl)-1-Phenyl-3-piperidino-2-buten-1-oneOprea1_835287DTXSID003463341-PHENYL-3-(PIPERIDIN-1-YL)BUT-2-EN-1-ONE
Database identifiers
- CAS
4620-54-6- PubChem CID
- 611331
- DTXSID
DTXSID00346334
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Melting point
- 97 · 97-98 °C
- Boiling point
- 346.036 · 346.036±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.054 · 1.054±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.467 · 6.467±0.20(predicted)
Chemistry & industry
Suppliers1 total
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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