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Molecule
1-Cinnamylpiperazine
CAS: 18903-01-0 · C13H18N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18903-01-0
- Molecular Formula
- C13H18N2
- Molecular Mass
- 202.30 g/mol
Identifiers
CAS Registry Number
18903-01-0
SMILES
C(=Cc1ccccc1)CN1CCNCC1
InChI Key
WGEIOMTZIIOUMA-UHFFFAOYSA-N
InChI
InChI=1S/C13H18N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-7,14H,8-12H2
Names and Synonyms
- 1-Cinnamylpiperazine Systematic Name
- Piperazine, 1-(3-phenyl-2-propen-1-yl)- Synonym
- Piperazine, 1-cinnamyl- Synonym
- Piperazine, 1-(3-phenyl-2-propenyl)- Synonym
- 1-(3-Phenyl-2-propen-1-yl)piperazine Synonym
- 1-Cinnamylpiperazine Synonym
- N-Cinnamylpiperazine Synonym
- N-(3-Phenyl-2-propenyl)piperazine Synonym
- 1-(3-Phenylallyl)piperazine Synonym
- 4-Cinnamylpiperazine Synonym
- 1-(3-Phenyl-2-propenyl)piperazine Synonym
- 4-(3-Phenylallyl)piperazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.30 g/mol | CAS Common Chemistry |
| 202.30099999999993 g/mol | RDKit | |
| 202.301 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)C=CCN2CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H18N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-7,14H,8-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WGEIOMTZIIOUMA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 95 °C | CAS Common Chemistry |
| Name | 1-Cinnamylpiperazine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| 15.04 Ų | chempirical lib | |
| LogP | 1.6049999999999998 | RDKit |
| 1.605 | RDKit | |
| Molar Refractivity | 64.78570000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3846 | RDKit |
| 0.38 | chempirical lib | |
| Exact Mass | 202.146998576 g/mol | RDKit |
| Boiling Point | 112-114 °C @ 0.098 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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 = 202.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H18N2.
