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1-Propyl-4-Piperidone
CAS: 23133-37-1 | C8H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23133-37-1
Molecular Formula:
C8H15NO
Molecular Mass:
141.21 g/mol
Names and Synonyms:
1-Propyl-4-Piperidone
4-Piperidinone, 1-propyl-
4-Piperidone, 1-propyl-
1-Propyl-4-piperidinone
1-Propyl-4-piperidone
1-n-Propyl-4-piperidone
N-Propyl-4-piperidinone
N-Propyl-4-piperidone
Identifiers:
SMILES:
CCCN1CCC(=O)CC1
InChI:
InChI=1S/C8H15NO/c1-2-5-9-6-3-8(10)4-7-9/h2-7H2,1H3
Key Properties
Boiling Point
56 °C @ Press: 1 Torr
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 | 141.21 g/mol | CAS Common Chemistry |
| 141.21399999999997 g/mol | RDKit | |
| 141.1153641 g/mol | RDKit | |
| Boiling Point | 56 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1CCN(CC1)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H15NO/c1-2-5-9-6-3-8(10)4-7-9/h2-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YGDZKYYCJUNORF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Propyl-4-piperidone | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 1.0613000000000001 | RDKit |
| Molar Refractivity | 40.97200000000001 | RDKit |
