Piperine
precursor
Showing entry for Piperine
Identification
- PhytoHub ID
- PHUB000843
- Name
- Piperine
- Systematic Name
- Not Available
- Synonyms
- 1-Piperinoylpiperidine
- CAS Number
- Not Available
- Average Mass
- 285.343
- Monoisotopic Mass
- 285.136493476
- Chemical Formula
- C17H19NO3
- IUPAC Name
- (2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one
- InChI Key
- MXXWOMGUGJBKIW-YPCIICBESA-N
- InChI Identifier
InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
- SMILES
O=C(\C=C\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1
- Structure
Structure for Piperine
Calculated Properties
- Solubility (ALOGPS)
- 1.49e-01 g/l
- LogS (ALOGPS)
- -3.28
- LogP (ALOGPS)
- 3.38
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 3
- Polar Surface Area
- 38.77
- Refractivity
- 82.903
- Polarizability
- 31.97068696383666
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -0.13200194795020023
- pKa (strongest acidic)
- Not Available
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
- ChEBI
- 28821
- PubChem
- 638024
- Chemistry Dashboard
- DTXSID3021805
- KNApSAcK
- C00002065
- MetaboLights
- MTBLC28821
- PeakForestCompound
- 000643
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Alkaloids
- Sub-class
- Pyrrolidine and piperidine alkaloids
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Not Available
- Super-class
- Alkaloids and derivatives
- Sub-class
- Not Available
- Direct Parent Name
- Alkaloids and derivatives
- Alternative Parent Names
- ["Acetals", "Azacyclic compounds", "Benzodioxoles", "Carbonyl compounds", "Hydrocarbon derivatives", "N-acylpiperidines", "Organic oxides", "Organonitrogen compounds", "Organopnictogen compounds", "Oxacyclic compounds", "Styrenes", "Tertiary carboxylic acid amides"]
- External Descriptor Annotations
- ["N-acylpiperidine", "Piperidine alkaloids", "benzodioxoles", "carboxamide", "piperidine alkaloid"]
- Substituent Names
- ["Acetal", "Alkaloid or derivatives", "Aromatic heteropolycyclic compound", "Azacycle", "Benzenoid", "Benzodioxole", "Carbonyl group", "Carboxamide group", "Carboxylic acid derivative", "Hydrocarbon derivative", "N-acyl-piperidine", "Organic nitrogen compound", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Oxacycle", "Piperidine", "Styrene", "Tertiary carboxylic acid amide"]
Spectra from Online Resources
| Record ID | Source | Description | View |
|---|---|---|---|
| BML01649 | MassBank | LC-ESI-QTOF Spectrum - 10 ev, unspecified | View Spectra |
| BML01660 | MassBank | LC-ESI-QTOF Spectrum - 20 ev, unspecified | View Spectra |
| BML01671 | MassBank | LC-ESI-QTOF Spectrum - 40 ev, unspecified | View Spectra |
| BML81975 | MassBank | LC-ESI-QTOF Spectrum - -, unspecified | View Spectra |
| JP001402 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP005656 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| MT000119 | MassBank | LC-ESI-IT Spectrum - 40, unspecified | View Spectra |
Spectra from Phytohub
|
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available