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1-Piperidineethanol
CAS: 3040-44-6 | C7H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3040-44-6
Molecular Formula:
C7H15NO
Molecular Weight:
129.203 g/mol
Names and Synonyms:
1-Piperidineethanol
N-(2-Hydroxyethyl)piperidine
1-Piperidineethanol
2-Piperidinoethanol
2-(1-Piperidinyl)ethanol
β-Piperidinoethanol
1-(2-Hydroxyethyl)piperidine
N-(β-Hydroxyethyl)piperidine
N-Piperidineethanol
N-Piperidinoethanol
2-(N-Piperidino)ethanol
2-(1-Piperidino)ethanol
2-(Piperid-1-yl)ethanol
NSC 3460
2-(Piperidine-1-yl)ethanol
2-(Piperidin-1-yl)ethan-1-ol
Identifiers:
SMILES:
OCCN1CCCCC1
InChI:
InChI=1S/C7H15NO/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 129.20 g/mol | Legacy Database |
| density | 0.97 g/cm³ | Legacy Database |
| cas-boiling-point | 202 °C None | Legacy Database |
| cas-canonical-smile | OCCN1CCCCC1 None | Legacy Database |
| cas-density | 0.9732 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H15NO/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=KZTWONRVIPPDKH-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 17.9 °C None | Legacy Database |
| cas-name | 1-Piperidineethanol None | Legacy Database |
| LogP | 0.4645999999999997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 129.203 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 | 2 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 | 37.3768 | RDKit |
