Back to Search
2-Piperidinol
CAS: 45506-41-0 | C5H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
45506-41-0
Molecular Formula:
C5H11NO
Molecular Weight:
101.149 g/mol
Names and Synonyms:
2-Piperidinol
2-Hydroxypiperidine
2-Piperidinol
Identifiers:
SMILES:
OC1CCCCN1
InChI:
InChI=1S/C5H11NO/c7-5-3-1-2-4-6-5/h5-7H,1-4H2
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 | 101.149 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 101.084063972 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 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 | 0.07830000000000009 | RDKit |
| molecular_mass | 101.15 g/mol | Legacy Database |
| cas-canonical-smile | OC1NCCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H11NO/c7-5-3-1-2-4-6-5/h5-7H,1-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=LEGMHPGYPXPXKB-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-Piperidinol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 27.86049999999999 | RDKit |
