Back to Search
1-(2-Methoxyphenyl)Piperazine
CAS: 35386-24-4 | C11H16N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
35386-24-4
Molecular Formula:
C11H16N2O
Molecular Mass:
192.26 g/mol
Names and Synonyms:
1-(2-Methoxyphenyl)Piperazine
Piperazine, 1-(2-methoxyphenyl)-
Piperazine, 1-(o-methoxyphenyl)-
1-(2-Methoxyphenyl)piperazine
N-(o-Methoxyphenyl)piperazine
1-(o-Methoxyphenyl)piperazine
N-(2-Methoxyphenyl)piperazine
1-(o-Anisyl)piperazine
o-Methoxyphenylpiperazine
D 15157
1-[2-(Methyloxy)phenyl]piperazine
Identifiers:
SMILES:
COc1ccccc1N1CCNCC1
InChI:
InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
Key Properties
Boiling Point
130-133 °C
CAS Common Chemistry
Melting Point
37-40 °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 | 192.26 g/mol | CAS Common Chemistry |
| 192.26199999999994 g/mol | RDKit | |
| 192.126263132 g/mol | RDKit | |
| Boiling Point | 130-133 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1N2CCNCC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VNZLQLYBRIOLFZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 37-40 °C | CAS Common Chemistry |
| Name | 1-(2-Methoxyphenyl)piperazine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 24.5 Ų | RDKit |
| LogP | 1.1047999999999998 | RDKit |
| Molar Refractivity | 58.07670000000003 | RDKit |
