Back to Search
1-Methyl-4-Piperidone
CAS: 1445-73-4 | C6H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1445-73-4
Molecular Formula:
C6H11NO
Molecular Mass:
113.16 g/mol
Names and Synonyms:
1-Methyl-4-Piperidone
4-Piperidinone, 1-methyl-
4-Piperidone, 1-methyl-
1-Methyl-4-piperidinone
1-Methyl-4-piperidone
N-Methyl-4-piperidone
N-Methyl-4-piperidinone
1-Methyl-4-oxopiperidine
NSC 66491
4-Oxo-1-methylpiperidine
Identifiers:
SMILES:
CN1CCC(=O)CC1
InChI:
InChI=1S/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H3
Key Properties
Boiling Point
43.5-44.1 °C @ Press: 6 Torr
CAS Common Chemistry
Melting Point
192-193 °C @ Solvent: Ethyl acetate
CAS Common Chemistry
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 | 113.16 g/mol | CAS Common Chemistry |
| 113.084063972 g/mol | RDKit | |
| Boiling Point | 43.5-44.1 °C @ Press: 6 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1CCN(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HUUPVABNAQUEJW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 192-193 °C @ Solvent: Ethyl acetate | CAS Common Chemistry |
| Name | 1-Methyl-4-piperidone | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 0.2811000000000001 | RDKit |
| Molar Refractivity | 31.737999999999985 | RDKit |
