Back to Search
1-Acetyl-4-Piperidone
CAS: 32161-06-1 | C7H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
32161-06-1
Molecular Formula:
C7H11NO2
Molecular Mass:
141.17 g/mol
Names and Synonyms:
1-Acetyl-4-Piperidone
4-Piperidinone, 1-acetyl-
4-Piperidone, 1-acetyl-
1-Acetyl-4-piperidinone
1-Acetyl-4-piperidone
1-Acetyl-4-oxopiperidine
N-Acetyl-4-piperidinone
N-Acetyl-4-piperidone
Identifiers:
SMILES:
CC(=O)N1CCC(=O)CC1
InChI:
InChI=1S/C7H11NO2/c1-6(9)8-4-2-7(10)3-5-8/h2-5H2,1H3
Key Properties
Boiling Point
218 °C
CAS Common Chemistry
Density
1.14 g/cm³
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 | 141.17 g/mol | CAS Common Chemistry |
| 141.078978592 g/mol | RDKit | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.144 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 218 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N1CCC(=O)CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H11NO2/c1-6(9)8-4-2-7(10)3-5-8/h2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NNFOVLFUGLWWCL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Acetyl-4-piperidone | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| LogP | 0.1978000000000002 | RDKit |
| Molar Refractivity | 36.495000000000005 | RDKit |
