Back to Search
1-Piperidinecarboxylic Acid, 4-Hydroxy-, Ethyl Ester
CAS: 65214-82-6 | C8H15NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
65214-82-6
Molecular Formula:
C8H15NO3
Molecular Mass:
173.21 g/mol
Names and Synonyms:
1-Piperidinecarboxylic Acid, 4-Hydroxy-, Ethyl Ester
1-Piperidinecarboxylic acid, 4-hydroxy-, ethyl ester
Ethyl 4-hydroxy-1-piperidinecarboxylate
NSC 71891
4-Oxypiperidine-1-carboxylic acid ethyl ester
1-(Ethoxycarbonyl)piperidin-4-ol
Identifiers:
SMILES:
CCOC(=O)N1CCC(O)CC1
InChI:
InChI=1S/C8H15NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h7,10H,2-6H2,1H3
Key Properties
Boiling Point
120-130 °C @ Press: 0.098 Torr
CAS Common Chemistry
Density
1.12 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.21 g/mol | CAS Common Chemistry |
| 173.212 g/mol | RDKit | |
| 173.10519334 g/mol | RDKit | |
| Density | 1.12 g/cm³ | CAS Common Chemistry |
| 1.1166 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 120-130 °C @ Press: 0.098 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)N1CCC(O)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H15NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h7,10H,2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QABJNOSERNVHDY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Piperidinecarboxylic acid, 4-hydroxy-, ethyl ester | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.769999999999996 Ų | RDKit |
| LogP | 0.5995999999999999 | RDKit |
| Molar Refractivity | 43.83580000000002 | RDKit |
