Back to Search
Ethyl 1-(Phenylmethyl)-4-Piperidinecarboxylate
CAS: 24228-40-8 | C15H21NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24228-40-8
Molecular Formula:
C15H21NO2
Molecular Mass:
247.34 g/mol
Names and Synonyms:
Ethyl 1-(Phenylmethyl)-4-Piperidinecarboxylate
4-Piperidinecarboxylic acid, 1-(phenylmethyl)-, ethyl ester
Isonipecotic acid, 1-benzyl-, ethyl ester
Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate
Ethyl 1-benzylpiperidine-4-carboxylate
Ethyl 1-benzylisonipecotate
Ethyl N-benzylisonipecotate
1-Benzyl-4-carboethoxypiperidine
Ethyl N-benzylisonipecotinate
1-(Phenylmethyl)piperidine-4-carboxylic acid ethyl ester
1-Benzyl-piperidine-4-carboxylic acid ethyl ester
Identifiers:
SMILES:
CCOC(=O)C1CCN(Cc2ccccc2)CC1
InChI:
InChI=1S/C15H21NO2/c1-2-18-15(17)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
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 | 247.34 g/mol | CAS Common Chemistry |
| 247.33799999999997 g/mol | RDKit | |
| 247.157228912 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC)C1CCN(CC=2C=CC=CC2)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C15H21NO2/c1-2-18-15(17)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ASQCOPJFYLJCGD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.54 Ų | RDKit |
| LogP | 2.4617000000000004 | RDKit |
| Molar Refractivity | 71.07600000000005 | RDKit |
