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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 Weight:
141.21399999999997 g/mol
Names and Synonyms:
1-Propyl-4-Piperidone
N-Propyl-4-piperidone
N-Propyl-4-piperidinone
1-n-Propyl-4-piperidone
1-Propyl-4-piperidone
1-Propyl-4-piperidinone
4-Piperidone, 1-propyl-
4-Piperidinone, 1-propyl-
Identifiers:
SMILES:
CCCN1CCC(=O)CC1
InChI:
InChI=1S/C8H15NO/c1-2-5-9-6-3-8(10)4-7-9/h2-7H2,1H3
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 |
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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
Physical Properties
Property | Value | Source |
---|---|---|
molecular_mass | 141.21 g/mol | Legacy Database |
cas-boiling-point | 56 °C @ Press: 1 Torr None | Legacy Database |
cas-canonical-smile | O=C1CCN(CC1)CCC None | Legacy Database |
cas-inchi | InChI=1S/C8H15NO/c1-2-5-9-6-3-8(10)4-7-9/h2-7H2,1H3 None | Legacy Database |
cas-inchi-key | InChIKey=YGDZKYYCJUNORF-UHFFFAOYSA-N None | Legacy Database |
cas-name | 1-Propyl-4-piperidone None | Legacy Database |
LogP | 1.0613000000000001 | RDKit |
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 141.21399999999997 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 141.1153641 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 10 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 2 count | RDKit |
Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 2 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 40.97200000000001 | RDKit |