Basic information
- CAS
7780-20-3- Standard SMILES
O=C(C=CC=Cc1ccc2c(c1)OCO2)N1CCCCC1- InChIKey
MXXWOMGUGJBKIW-UHFFFAOYSA-N- Molecular formula
- C17H19NO3
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.13649347
Overview
1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine has been reported in Piper capense, Piper swartzianum, and other organisms with data available.
Names & identifiers
- Preferred name
- 2,4-Pentadien-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E,4E)-
- IUPAC
- 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
- English name
- piperine
- Molecular formula
- C17H19NO3
- Molecular weight
- 285.34
Names & synonyms
2,4-Pentadien-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E,4E)-RefChem:4439471-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-onePiperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-Bioperine;1-PiperoylpiperidineSpectrum_000323Prestwick0_000474Prestwick1_000474Spectrum2_000049Spectrum3_000868Spectrum4_000708
Show more names
5-stilbenediol(E/Z)-PiperineSichuanPepper oil1-piperoylpiperidine (Standard)1-piperoylpiperidine, 10 mM in DMSO1-Piperidino-5-(1,3-benzodioxole-5-yl)-2,4-pentadiene-1-one2,4-Pentadien-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-5-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-onePiperidine, 1-[5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-
SCHEMBL94059KBioGR_001235KBioSS_000803MLS006011979DivK1c_000954SPBio_000177SPBio_002547orb1217655
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 412
Physicochemical properties
- Melting point
- 129 °C · 129 °C
- Boiling point
- 498.5 · 498.5±40.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- -0.71 · -0.71±0.20(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- 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
- InChIKey
- MXXWOMGUGJBKIW-UHFFFAOYSA-N
- SMILES
- C(N1CCCCC1)(=O)C=CC=CC1=CC=C2OCOC2=C1
- LogP
- 3.365 · 3.365 (est)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,4-Pentadien-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E,4E)-: ACTIVE
Suppliers99 total
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Shaanxi LonierHerb Bio Technology Co Ltd+86-86-+86-86-029-87551862 15002946897 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
Shenzhen Monkono Technology Co.,Ltd+86-17063441314 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
陕西帕尼尔生物科技有限公司029-84385017-8003 13259417953 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
陕西帕尼尔生物科技有限公司029-84385017; +8613259417953 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
XI'AN TIANGUANGYUAN BIOTECH CO., LTD.—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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