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Molecule
1,2,3,4,5,6-Hexahydro-[4,4′]Bipyridinyl
CAS: 581-45-3 · C10H14N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 581-45-3
- Molecular Formula
- C10H14N2
- Molecular Mass
- 162.24 g/mol
Identifiers
CAS Registry Number
581-45-3
SMILES
c1cc(C2CCNCC2)ccn1
InChI Key
RGBWBVGQZFJTEO-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-2,5-6,10,12H,3-4,7-8H2
Names and Synonyms
- 1,2,3,4,5,6-Hexahydro-[4,4′]Bipyridinyl Systematic Name
- Pyridine, 4-(4-piperidinyl)- Synonym
- Piperidine, 4-(4-pyridyl)- Synonym
- 4-(4-Piperidinyl)pyridine Synonym
- 4-(4-Pyridyl)piperidine Synonym
- 4-(4′-Piperidyl)pyridine Synonym
- 4-(4-Pyridinyl)piperidine Synonym
- 1,2,3,4,5,6-Hexahydro-[4,4′]bipyridinyl Synonym
- 4-(4-Piperidyl)pyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.24 g/mol | CAS Common Chemistry |
| 162.23600000000002 g/mol | RDKit | |
| 162.236 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC(=CC1)C2CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H14N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-2,5-6,10,12H,3-4,7-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RGBWBVGQZFJTEO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,2,3,4,5,6-Hexahydro-[4,4′]bipyridinyl | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 24.92 Ų | RDKit |
| 24.39 Ų | chempirical lib | |
| LogP | 1.5486 | RDKit |
| Molar Refractivity | 49.081700000000026 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 162.115698448 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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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MW = 162.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14N2.
