Back to Search
Tetrahydropiperine
CAS: 23434-88-0 | C17H23NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23434-88-0
Molecular Formula:
C17H23NO3
Molecular Mass:
289.38 g/mol
Names and Synonyms:
Tetrahydropiperine
1-Pentanone, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-
Piperidine, 1-[5-[3,4-(methylenedioxy)phenyl]valeryl]-
Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxopentyl]-
5-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-1-pentanone
Tetrahydropiperine
Cosmoperine
Tetrahydropiperidine
Identifiers:
SMILES:
O=C(CCCCc1ccc2c(c1)OCO2)N1CCCCC1
InChI:
InChI=1S/C17H23NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h8-9,12H,1-7,10-11,13H2
Key Properties
Boiling Point
261 °C @ Press: 14 Torr
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 | 289.38 g/mol | CAS Common Chemistry |
| 289.37500000000006 g/mol | RDKit | |
| 289.167793596 g/mol | RDKit | |
| Boiling Point | 261 °C @ Press: 14 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(N1CCCCC1)CCCCC2=CC=C3OCOC3=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C17H23NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h8-9,12H,1-7,10-11,13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=APZYKUZPJCQGPP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tetrahydropiperine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.77 Ų | RDKit |
| LogP | 3.140600000000002 | RDKit |
| Molar Refractivity | 80.55100000000006 | RDKit |
