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1-Methyl-4-(Methylamino)Piperidine
CAS: 73579-08-5 | C7H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
73579-08-5
Molecular Formula:
C7H16N2
Molecular Weight:
128.219 g/mol
Names and Synonyms:
1-Methyl-4-(Methylamino)Piperidine
4-Piperidinamine, N,1-dimethyl-
N,1-Dimethyl-4-piperidinamine
1-Methyl-4-(methylamino)piperidine
4-Methylamino-1-methylpiperidine
N-Methyl-N-(1-methyl-4-piperidyl)amine
1-Methyl-4-(N-methylamino)piperidine
Methyl(1-methylpiperidin-4-yl)amine
N-Methyl-N-(1-methylpiperidin-4-yl)amine
N-Methyl-4-(methylamino)piperidine
N-Methyl-1-methyl-4-piperidinamine
N-(1-Methylpiperidin-4-yl)methylamine
4-Methylamino-N-methylpiperidine
Identifiers:
SMILES:
CNC1CCN(C)CC1
InChI:
InChI=1S/C7H16N2/c1-8-7-3-5-9(2)6-4-7/h7-8H,3-6H2,1-2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 128.22 g/mol | Legacy Database |
| cas-canonical-smile | N(C)C1CCN(C)CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C7H16N2/c1-8-7-3-5-9(2)6-4-7/h7-8H,3-6H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=XRYGCVVVDCEPRL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1-Methyl-4-(methylamino)piperidine None | Legacy Database |
| LogP | 0.30000000000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 128.219 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 128.131348512 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 15.27 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.57870000000001 | RDKit |
