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2-Piperidineethanol
CAS: 1484-84-0 | C7H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1484-84-0
Molecular Formula:
C7H15NO
Molecular Weight:
129.20300000000003 g/mol
Names and Synonyms:
2-Piperidineethanol
2-(2-Piperidyl)ethan-1-ol
2-(Piperidin-2-yl)ethan-1-ol
2-Piperidine-2-yl-ethanol
NSC 9261
(±)-2-Piperidineethanol
2-(2-Piperidinyl)ethanol
2-(2-Hydroxyethyl)piperidine
2-Piperidineethanol
Identifiers:
SMILES:
OCCC1CCCCN1
InChI:
InChI=1S/C7H15NO/c9-6-4-7-3-1-2-5-8-7/h7-9H,1-6H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 129.20300000000003 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 | 2 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 | 32.26 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.5108999999999997 | RDKit |
| molecular_mass | 129.20 g/mol | Legacy Database |
| density | 1.01 g/cm³ | Legacy Database |
| cas-boiling-point | 202 °C None | Legacy Database |
| cas-canonical-smile | OCCC1NCCCC1 None | Legacy Database |
| cas-density | 1.0106 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H15NO/c9-6-4-7-3-1-2-5-8-7/h7-9H,1-6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=PTHDBHDZSMGHKF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 69 °C None | Legacy Database |
| cas-name | 2-Piperidineethanol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.3445 | RDKit |
