Back to Search
1-(Quinoxalin-6-Ylcarbonyl)Piperidine
CAS: 154235-83-3 | C14H15N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
154235-83-3
Molecular Formula:
C14H15N3O
Molecular Mass:
241.29 g/mol
Names and Synonyms:
1-(Quinoxalin-6-Ylcarbonyl)Piperidine
Methanone, 1-piperidinyl-6-quinoxalinyl-
Piperidine, 1-(6-quinoxalinylcarbonyl)-
1-Piperidinyl-6-quinoxalinylmethanone
BDP 12
CX 516
Ampalex
1-(Quinoxalin-6-ylcarbonyl)piperidine
Identifiers:
SMILES:
O=C(c1ccc2nccnc2c1)N1CCCCC1
InChI:
InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
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 | 241.29 g/mol | CAS Common Chemistry |
| 241.29399999999993 g/mol | RDKit | |
| 241.1215121 g/mol | RDKit | |
| Canonical SMILES | O=C(C1=CC=C2N=CC=NC2=C1)N3CCCCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ANDGGVOPIJEHOF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(Quinoxalin-6-ylcarbonyl)piperidine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 46.09 Ų | RDKit |
| LogP | 2.2559000000000005 | RDKit |
| Molar Refractivity | 69.29250000000002 | RDKit |
