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1-(1-Methylpropyl)Piperazine
CAS: 34581-21-0 | C8H18N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
34581-21-0
Molecular Formula:
C8H18N2
Molecular Mass:
142.25 g/mol
Names and Synonyms:
1-(1-Methylpropyl)Piperazine
Piperazine, 1-(1-methylpropyl)-
1-(1-Methylpropyl)piperazine
1-sec-Butylpiperazine
1-Butan-2-ylpiperazine
1-(2-Butyl)-piperazine
Identifiers:
SMILES:
CCC(C)N1CCNCC1
InChI:
InChI=1S/C8H18N2/c1-3-8(2)10-6-4-9-5-7-10/h8-9H,3-7H2,1-2H3
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 | 142.25 g/mol | CAS Common Chemistry |
| 142.24599999999998 g/mol | RDKit | |
| 142.146998576 g/mol | RDKit | |
| Canonical SMILES | N1CCN(CC1)C(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C8H18N2/c1-3-8(2)10-6-4-9-5-7-10/h8-9H,3-7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZHHCLIRTNOSAPB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(1-Methylpropyl)piperazine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| LogP | 0.6900999999999999 | RDKit |
| Molar Refractivity | 44.195700000000016 | RDKit |
