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1-(4-Methyl-2-Pyridinyl)Piperazine
CAS: 34803-67-3 | C10H15N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
34803-67-3
Molecular Formula:
C10H15N3
Molecular Mass:
177.25 g/mol
Names and Synonyms:
1-(4-Methyl-2-Pyridinyl)Piperazine
Piperazine, 1-(4-methyl-2-pyridinyl)-
Piperazine, 1-(4-methyl-2-pyridyl)-
1-(4-Methyl-2-pyridinyl)piperazine
1-(4-Methyl-2-pyridyl)piperazine
1-(4-Methylpyridin-2-yl)piperazine
Identifiers:
SMILES:
Cc1ccnc(N2CCNCC2)c1
InChI:
InChI=1S/C10H15N3/c1-9-2-3-12-10(8-9)13-6-4-11-5-7-13/h2-3,8,11H,4-7H2,1H3
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 | 177.25 g/mol | CAS Common Chemistry |
| 177.251 g/mol | RDKit | |
| 177.12659748 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC(=CC1N2CCNCC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H15N3/c1-9-2-3-12-10(8-9)13-6-4-11-5-7-13/h2-3,8,11H,4-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZFBRKSGGMODDHD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(4-Methyl-2-pyridinyl)piperazine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 28.160000000000004 Ų | RDKit |
| LogP | 0.7996199999999998 | RDKit |
| Molar Refractivity | 54.05670000000003 | RDKit |
