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4-(Dimethylamino)Piperidine
CAS: 50533-97-6 | C7H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
50533-97-6
Molecular Formula:
C7H16N2
Molecular Weight:
128.219 g/mol
Names and Synonyms:
4-(Dimethylamino)Piperidine
4-Piperidinamine, N,N-dimethyl-
Piperidine, 4-(dimethylamino)-
N,N-Dimethyl-4-piperidinamine
4-(Dimethylamino)piperidine
4-(N,N-Dimethylamino)piperidine
N,N-Dimethyl-N-(4-piperidinyl)amine
Dimethyl(piperidin-4-yl)amine
Identifiers:
SMILES:
CN(C)C1CCNCC1
InChI:
InChI=1S/C7H16N2/c1-9(2)7-3-5-8-6-4-7/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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.29999999999999966 | RDKit |
| molecular_mass | 128.22 g/mol | Legacy Database |
| cas-boiling-point | 182-187 °C None | Legacy Database |
| cas-canonical-smile | N1CCC(N(C)C)CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C7H16N2/c1-9(2)7-3-5-8-6-4-7/h7-8H,3-6H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=YFJAIURZMRJPDB-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 4-(Dimethylamino)piperidine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.578700000000005 | RDKit |
