Piperettine
Basic information
- CAS
583-34-6- Standard SMILES
O=C(/C=C/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1- InChIKey
DLKOUKNODPCIHZ-UMYWTXKFSA-N- Molecular formula
- C19H21NO3
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.15214353
Overview
Piperettine is a member of benzodioxoles.
Names & identifiers
- Preferred name
- Piperettine
- IUPAC
- (2E,4E,6E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhepta-2,4,6-trien-1-one
- English name
- 2,4,6-Heptatrien-1-one, 7-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E,4E,6E)-
- Molecular formula
- C19H21NO3
- Molecular weight
- 311.37
Names & synonyms
piperettine583-34-65LSU6EU5C7DTXSID801318315(2E,4E,6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hepta-2,4,6-trien-1-one(2E,4E,6E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhepta-2,4,6-trien-1-oneRefChem:1096113DTXCID501748127(E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhept-6-en-1-onePiperettin2,4,6-Heptatrien-1-one, 7-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E,4E,6E)-(2E,4E,6E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hepta-2,4,6-trien-1-one
Show more names
Piperidine, 1-[(2E,4E,6E)-7-(1,3-benzodioxol-5-yl)-1-oxo-2,4,6-heptatrienyl]-Piperidine, 1-[7-(1,3-benzodioxol-5-yl)-1-oxo-2,4,6-heptatrienyl]-, (E,E,E)-piperettine I1-piperettylpyrrolidineCHEMBL324315orb2943095SCHEMBL14200750CHEBI:193552
Database identifiers
- CAS
583-34-6- PubChem CID
- 10244953
- DTXSID
DTXSID801318315- ChEMBL
CHEMBL1086887、CHEMBL324315- ChEBI
CHEBI:193552- UNII
- 5LSU6EU5C7
- Nikkaji
- J816.651J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 477
Experimental & physicochemical properties
Melting Point148 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 531.1 · 531.1±45.0 °C(Predicted)
- Density
- 1.188 · 1.188±0.06 g/cm3(Predicted)
- Melting point
- 146 · 146-149 °C
- pka
- -0.93 · -0.93±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesPiperettine is the active substance in pepper[1].
Additional notes
DefinitionChEBI: Piperettine is a member of benzodioxoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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