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1,2,3,4,5,6-Hexahydro-[4,4′]Bipyridinyl
CAS: 581-45-3 | C10H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
581-45-3
Molecular Formula:
C10H14N2
Molecular Mass:
162.24 g/mol
Names and Synonyms:
1,2,3,4,5,6-Hexahydro-[4,4′]Bipyridinyl
Pyridine, 4-(4-piperidinyl)-
Piperidine, 4-(4-pyridyl)-
4-(4-Piperidinyl)pyridine
4-(4-Pyridyl)piperidine
4-(4′-Piperidyl)pyridine
4-(4-Pyridinyl)piperidine
1,2,3,4,5,6-Hexahydro-[4,4′]bipyridinyl
4-(4-Piperidyl)pyridine
Identifiers:
SMILES:
c1cc(C2CCNCC2)ccn1
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
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 | 162.24 g/mol | CAS Common Chemistry |
| 162.23600000000002 g/mol | RDKit | |
| 162.115698448 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 |
| LogP | 1.5486 | RDKit |
| Molar Refractivity | 49.081700000000026 | RDKit |
