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Piperine
CAS: 94-62-2 | C17H19NO3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
94-62-2
Molecular Formula:
C17H19NO3
Molecular Mass:
285.34 g/mol
Names and Synonyms:
Piperine
2,4-Pentadien-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E,4E)-
Piperine
Piperidine, 1-piperoyl-, (E,E)-
Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-
Piperidine, 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-
(2E,4E)-5-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4-pentadien-1-one
1-Piperoylpiperidine
Piperin
(E,E)-5-(3,4-Methylenedioxyphenyl)-2,4-pentadienoylpiperidide
(E,E)-1-[5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoyl]piperidine
Bioperine
NSC 21727
Bioperin
(2E,4E)-5-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one
Identifiers:
SMILES:
O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
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/b6-2+,7-3+
Key Properties
Melting Point
131.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 285.34 g/mol | CAS Common Chemistry |
| 285.343 g/mol | RDKit | |
| 285.136493468 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Piperine | CAS Common Chemistry |
| Canonical SMILES | O=C(C=CC=CC1=CC=C2OCOC2=C1)N3CCCCC3 | CAS Common Chemistry |
| 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/b6-2+,7-3+ | CAS Common Chemistry |
| InChI Key | InChIKey=MXXWOMGUGJBKIW-YPCIICBESA-N | CAS Common Chemistry |
| Melting Point | 131.5 °C | CAS Common Chemistry |
| Name | Piperine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.77 Ų | RDKit |
| LogP | 2.997200000000001 | RDKit |
| Molar Refractivity | 81.17000000000004 | RDKit |
