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Molecule
Ethyl 1-Piperidinepropanoate
CAS: 19653-33-9 · C10H19NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19653-33-9
- Molecular Formula
- C10H19NO2
- Molecular Mass
- 185.27 g/mol
Identifiers
CAS Registry Number
19653-33-9
SMILES
CCOC(=O)CCN1CCCCC1
InChI Key
MPAWVDTVWPPKJQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H19NO2/c1-2-13-10(12)6-9-11-7-4-3-5-8-11/h2-9H2,1H3
Names and Synonyms
- Ethyl 1-Piperidinepropanoate Common Name
- 1-Piperidinepropanoic acid, ethyl ester Synonym
- 1-Piperidinepropionic acid, ethyl ester Synonym
- Ethyl 1-piperidinepropanoate Synonym
- Ethyl 3-piperidinepropionate Synonym
- NSC 75594 Synonym
- Ethyl 3-piperidinopropionate Synonym
- Ethyl 3-(1-piperidyl)propionate Synonym
- Ethyl 3-(1-piperidinyl)propanoate Synonym
- 1-[2-(Ethoxycarbonyl)ethyl]piperidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 185.27 g/mol | CAS Common Chemistry |
| 185.26699999999994 g/mol | RDKit | |
| 185.267 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.927 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | >218 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)CCN1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H19NO2/c1-2-13-10(12)6-9-11-7-4-3-5-8-11/h2-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MPAWVDTVWPPKJQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyl 1-piperidinepropanoate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.54 Ų | RDKit |
| 29.31 Ų | chempirical lib | |
| LogP | 1.4255000000000002 | RDKit |
| 1.4255 | RDKit | |
| Molar Refractivity | 51.54100000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 185.141578848 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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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Quick conversion
MW = 185.27 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H19NO2.
