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1-Cinnamylpiperazine
CAS: 18903-01-0 | C13H18N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18903-01-0
Molecular Formula:
C13H18N2
Molecular Mass:
202.30 g/mol
Names and Synonyms:
1-Cinnamylpiperazine
Piperazine, 1-(3-phenyl-2-propen-1-yl)-
Piperazine, 1-cinnamyl-
Piperazine, 1-(3-phenyl-2-propenyl)-
1-(3-Phenyl-2-propen-1-yl)piperazine
1-Cinnamylpiperazine
N-Cinnamylpiperazine
N-(3-Phenyl-2-propenyl)piperazine
1-(3-Phenylallyl)piperazine
4-Cinnamylpiperazine
1-(3-Phenyl-2-propenyl)piperazine
4-(3-Phenylallyl)piperazine
Identifiers:
SMILES:
C(=Cc1ccccc1)CN1CCNCC1
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
Key Properties
Boiling Point
112-114 °C @ Press: 0.098 Torr
CAS Common Chemistry
Melting Point
95 °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 | 202.30 g/mol | CAS Common Chemistry |
| 202.30099999999993 g/mol | RDKit | |
| 202.146998576 g/mol | RDKit | |
| Boiling Point | 112-114 °C @ Press: 0.098 Torr | CAS Common Chemistry |
| 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 |
| LogP | 1.6049999999999998 | RDKit |
| Molar Refractivity | 64.78570000000003 | RDKit |
