5-(2H-1,3-Benzodioxol-5-YL)-1-(piperidin-1-YL)pent-2-EN-1-one
Basic information
- CAS
23512-46-1- Standard SMILES
O=C(C=CCCc1ccc2c(c1)OCO2)N1CCCCC1- InChIKey
QHWOFMXDKFORMO-UHFFFAOYSA-N- Molecular formula
- C17H21NO3
- Average molar mass
- 287.35 g/mol
- Monoisotopic mass
- 287.15214353
Overview
5-(2H-1,3-Benzodioxol-5-YL)-1-(piperidin-1-YL)pent-2-EN-1-one has been reported in Piper capense, Piper swartzianum, and other organisms with data available.
Names & identifiers
- Preferred name
- 5-(2H-1,3-Benzodioxol-5-YL)-1-(piperidin-1-YL)pent-2-EN-1-one
- IUPAC
- 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-2-en-1-one
- English name
- Piperanine
- Molecular formula
- C17H21NO3
- Molecular weight
- 287.35
Names & synonyms
DTXSID409462315-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-2-en-1-oneRefChem:101635DTXCID8013745215-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)PENT-2-EN-1-ONE23512-46-165937-41-95-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2-penten-1-oneSCHEMBL23728300DTXSID201377672YAA51246Piperanine
Show more names
Δα,β-DihydropiperinePiperonal Impurity 9Piperanine >=95% (LC/MS-ELSD)(2E)-1-Piperidino-5-(1,3-benzodioxole-5-yl)-2-pentene-1-one1-[(E)-5-(1,3-Benzodioxol-5-yl)-1-oxo-2-pentenyl]piperidine(E)-1-(1-Piperidinyl)-5-(1,3-benzodioxole-5-yl)-2-pentene-1-one2-Penten-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E)-
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Melting point
- 78 °C · 78 °C
- Boiling point
- 489.9 · 489.9±45.0 °C(Predicted)
- Density
- 1.178 · 1.178±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- -0.79 · -0.79±0.20(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P501
- Hazard Codes
- N
- Risk Statements
- 50 · 50
- Safety Statements
- 61 · 61
- RIDADR
- 3077 · UN 3077 9 / PGIII
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 50
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N
- safety_code
- 61
- Hazard statements
- H410
- Precautionary statements
- P273-P501
Chemistry & industry
Applications
UsesPiperanine is an antifungal agent. Piperanine shows growth inhibition against the fungus Cladosporium claspoirioides. Piperanine can be isolated from the fruits of Piper retrofractum[1].
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Piperanine is a member of benzodioxoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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