Back to Search
1-(3-Methylphenyl)Piperazine
CAS: 41186-03-2 | C11H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
41186-03-2
Molecular Formula:
C11H16N2
Molecular Mass:
176.26 g/mol
Names and Synonyms:
1-(3-Methylphenyl)Piperazine
4-(3-Methylphenyl)piperazine
Piperazine, 1-(3-methylphenyl)-
1-(3-Methylphenyl)piperazine
1-m-Tolylpiperazine
1-(3-Tolyl)piperazine
N-(3-Methylphenyl)piperazine
N-m-Tolylpiperazine
N-(3-Tolyl)piperazine
1-(m-Methylphenyl)piperazine
NSC 150848
NSC 184825
Identifiers:
SMILES:
Cc1cccc(N2CCNCC2)c1
InChI:
InChI=1S/C11H16N2/c1-10-3-2-4-11(9-10)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3
Key Properties
Boiling Point
138-140 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
125-128 °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 | 176.26 g/mol | CAS Common Chemistry |
| 176.263 g/mol | RDKit | |
| 176.131348512 g/mol | RDKit | |
| Boiling Point | 138-140 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=C(C=C(C1)C)N2CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H16N2/c1-10-3-2-4-11(9-10)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JIWHIRLNKIUYSM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 125-128 °C | CAS Common Chemistry |
| Name | 1-(3-Methylphenyl)piperazine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| LogP | 1.40462 | RDKit |
| Molar Refractivity | 56.26170000000003 | RDKit |
