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Molecule
1-(Quinoxalin-6-Ylcarbonyl)Piperidine
CAS: 154235-83-3 · C14H15N3O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 154235-83-3
- Molecular Formula
- C14H15N3O
- Molecular Mass
- 241.29 g/mol
Identifiers
CAS Registry Number
154235-83-3
SMILES
O=C(c1ccc2nccnc2c1)N1CCCCC1
InChI Key
ANDGGVOPIJEHOF-UHFFFAOYSA-N
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
Names and Synonyms
- 1-(Quinoxalin-6-Ylcarbonyl)Piperidine Synonym
- Methanone, 1-piperidinyl-6-quinoxalinyl- Synonym
- Piperidine, 1-(6-quinoxalinylcarbonyl)- Synonym
- 1-Piperidinyl-6-quinoxalinylmethanone Synonym
- BDP 12 Synonym
- CX 516 Synonym
- Ampalex Synonym
- 1-(Quinoxalin-6-ylcarbonyl)piperidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.29 g/mol | CAS Common Chemistry |
| 241.29399999999993 g/mol | RDKit | |
| 241.294 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 |
| 44.8 Ų | chempirical lib | |
| LogP | 2.2559000000000005 | RDKit |
| 2.2559 | RDKit | |
| Molar Refractivity | 69.29250000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3571 | RDKit |
| 0.36 | chempirical lib | |
| Exact Mass | 241.1215121 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 241.29 g/mol. Edit any field — others recompute live.
