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Molecule
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
Identifiers
CAS Registry Number
23434-88-0
SMILES
O=C(CCCCc1ccc2c(c1)OCO2)N1CCCCC1
InChI Key
APZYKUZPJCQGPP-UHFFFAOYSA-N
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
Names and Synonyms
- Tetrahydropiperine Common Name
- 1-Pentanone, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)- Synonym
- Piperidine, 1-[5-[3,4-(methylenedioxy)phenyl]valeryl]- Synonym
- Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxopentyl]- Synonym
- 5-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-1-pentanone Synonym
- Tetrahydropiperine Synonym
- Cosmoperine Synonym
- Tetrahydropiperidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 289.38 g/mol | CAS Common Chemistry |
| 289.37500000000006 g/mol | RDKit | |
| 289.375 g/mol | RDKit | |
| 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 |
| 38.54 Ų | chempirical lib | |
| LogP | 3.140600000000002 | RDKit |
| 3.1406 | RDKit | |
| Molar Refractivity | 80.55100000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5882 | RDKit |
| 0.59 | chempirical lib | |
| Exact Mass | 289.167793596 g/mol | RDKit |
| Boiling Point | 261 °C @ 14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 289.38 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H23NO3.
