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Molecule
Ethyl 2-Piperidinecarboxylate
CAS: 15862-72-3 · C8H15NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15862-72-3
- Molecular Formula
- C8H15NO2
- Molecular Mass
- 157.21 g/mol
Identifiers
CAS Registry Number
15862-72-3
SMILES
CCOC(=O)C1CCCCN1
InChI Key
SZIKRGHFZTYTIT-UHFFFAOYSA-N
InChI
InChI=1S/C8H15NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3
Names and Synonyms
- Ethyl 2-Piperidinecarboxylate Common Name
- 2-Piperidinecarboxylic acid, ethyl ester Synonym
- Pipecolic acid, ethyl ester Synonym
- Ethyl 2-pipecolate Synonym
- Ethyl pipecolate Synonym
- Ethyl 2-piperidinecarboxylate Synonym
- Ethyl pipecolinate Synonym
- 2-(Ethoxycarbonyl)piperidine Synonym
- (±)-2-Piperidinecarboxylic acid ethyl ester Synonym
- DL-Pipecolic acid ethyl ester Synonym
- (±)-Ethyl pipecolinate Synonym
- NSC 49360 Synonym
- DL-Ethyl pipecolinate Synonym
- Ethyl piperolinate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.21 g/mol | CAS Common Chemistry |
| 157.213 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.0065 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OCC)C1NCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H15NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SZIKRGHFZTYTIT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyl 2-piperidinecarboxylate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.33 Ų | RDKit |
| LogP | 0.6915999999999998 | RDKit |
| 0.6916 | RDKit | |
| Molar Refractivity | 42.27470000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 157.11027872 g/mol | RDKit |
| Boiling Point | 93-94 °C @ 11 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| 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.
External Resources
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MW = 157.21 g/mol; density = 1.010 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H15NO2.
