Back to Search
2-(1-Methylpiperidin-4-Yl)Ethanamine
CAS: 20845-38-9 | C8H18N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20845-38-9
Molecular Formula:
C8H18N2
Molecular Mass:
142.25 g/mol
Names and Synonyms:
2-(1-Methylpiperidin-4-Yl)Ethanamine
4-Piperidineethanamine, 1-methyl-
Piperidine, 4-(2-aminoethyl)-1-methyl-
1-Methyl-4-piperidineethanamine
4-(Aminoethyl)-1-methylpiperidine
4-(2-Aminoethyl)-1-methylpiperidine
2-(1-Methylpiperidin-4-yl)ethanamine
2-(1-Methyl-4-piperidyl)ethanamine
2-(1-Methylpiperidin-4-yl)ethylamine
2-(1-Methylpiperidin-4-yl)ethan-1-amine
Identifiers:
SMILES:
CN1CCC(CCN)CC1
InChI:
InChI=1S/C8H18N2/c1-10-6-3-8(2-5-9)4-7-10/h8H,2-7,9H2,1H3
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 | 142.25 g/mol | CAS Common Chemistry |
| 142.24599999999998 g/mol | RDKit | |
| 142.146998576 g/mol | RDKit | |
| Canonical SMILES | NCCC1CCN(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H18N2/c1-10-6-3-8(2-5-9)4-7-10/h8H,2-7,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IKJXAMMGTSTBLQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(1-Methylpiperidin-4-yl)ethanamine | 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 | 29.259999999999998 Ų | RDKit |
| LogP | 0.6770000000000002 | RDKit |
| Molar Refractivity | 43.89240000000001 | RDKit |
