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N-Methyl-4-Piperidinamine
CAS: 45584-07-4 | C6H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
45584-07-4
Molecular Formula:
C6H14N2
Molecular Mass:
114.19 g/mol
Names and Synonyms:
N-Methyl-4-Piperidinamine
4-Piperidinamine, N-methyl-
N-Methyl-4-piperidinamine
4-(Methylamino)piperidine
N-Methyl-N-(piperidin-4-yl)amine
Identifiers:
SMILES:
CNC1CCNCC1
InChI:
InChI=1S/C6H14N2/c1-7-6-2-4-8-5-3-6/h6-8H,2-5H2,1H3
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 | 114.19 g/mol | CAS Common Chemistry |
| 114.19200000000001 g/mol | RDKit | |
| 114.11569844799999 g/mol | RDKit | |
| Canonical SMILES | N1CCC(NC)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2/c1-7-6-2-4-8-5-3-6/h6-8H,2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FHTGZDVYPCEHFQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Methyl-4-piperidinamine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.06 Ų | RDKit |
| LogP | -0.04220000000000024 | RDKit |
| Molar Refractivity | 34.95139999999999 | RDKit |
