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1-Ethyl-4-Piperidinol
CAS: 3518-83-0 | C7H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3518-83-0
Molecular Formula:
C7H15NO
Molecular Weight:
129.20299999999997 g/mol
Names and Synonyms:
1-Ethyl-4-Piperidinol
4-Piperidinol, 1-ethyl-
1-Ethyl-4-piperidinol
1-Ethyl-4-hydroxypiperidine
N-Ethyl-4-hydroxypiperidine
Identifiers:
SMILES:
CCN1CCC(O)CC1
InChI:
InChI=1S/C7H15NO/c1-2-8-5-3-7(9)4-6-8/h7,9H,2-6H2,1H3
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 |
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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 | 129.20 g/mol | Legacy Database |
density | 0.95 g/cm³ | Legacy Database |
cas-boiling-point | 108-109 °C @ Press: 20-21 Torr None | Legacy Database |
cas-canonical-smile | OC1CCN(CC)CC1 None | Legacy Database |
cas-density | 0.9529 g/cm3 @ Temp: 25 °C None | Legacy Database |
cas-inchi | InChI=1S/C7H15NO/c1-2-8-5-3-7(9)4-6-8/h7,9H,2-6H2,1H3 None | Legacy Database |
cas-inchi-key | InChIKey=AHOJTPZHHMJMCW-UHFFFAOYSA-N None | Legacy Database |
cas-name | 1-Ethyl-4-piperidinol None | Legacy Database |
LogP | 0.4629999999999999 | RDKit |
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 129.20299999999997 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 129.1153641 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 9 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 2 count | RDKit |
Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 1 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 23.47 Ų | RDKit |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 37.3548 | RDKit |