Back to Search
Molecule
4-Amino-1-Methylpiperidine
CAS: 41838-46-4 · C6H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 41838-46-4
- Molecular Formula
- C6H14N2
- Molecular Mass
- 114.19 g/mol
Identifiers
CAS Registry Number
41838-46-4
SMILES
CN1CCC(N)CC1
InChI Key
ALOCUZOKRULSAA-UHFFFAOYSA-N
InChI
InChI=1S/C6H14N2/c1-8-4-2-6(7)3-5-8/h6H,2-5,7H2,1H3
Names and Synonyms
- 4-Amino-1-Methylpiperidine Systematic Name
- 4-Piperidinamine, 1-methyl- Synonym
- Piperidine, 4-amino-1-methyl- Synonym
- 1-Methyl-4-piperidinamine Synonym
- 4-Amino-1-methylpiperidine Synonym
- 1-Methyl-4-aminopiperidine Synonym
- 1-Methylpiperidin-4-ylamine Synonym
- N-Methyl-4-aminopiperidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.19 g/mol | CAS Common Chemistry |
| 114.19200000000001 g/mol | RDKit | |
| 114.192 g/mol | RDKit | |
| Canonical SMILES | NC1CCN(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2/c1-8-4-2-6(7)3-5-8/h6H,2-5,7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ALOCUZOKRULSAA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 237-239 °C | CAS Common Chemistry |
| Name | 4-Amino-1-methylpiperidine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| 29.26 Ų | RDKit | |
| 29.03 Ų | chempirical lib | |
| LogP | 0.039299999999999946 | RDKit |
| 0.0393 | RDKit | |
| Molar Refractivity | 34.706399999999995 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 114.11569844799999 g/mol | RDKit |
| Boiling Point | 83 °C @ 48 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 114.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14N2.
