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2,2′-Bipiperidine
CAS: 531-67-9 | C10H20N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
531-67-9
Molecular Formula:
C10H20N2
Molecular Mass:
168.28 g/mol
Names and Synonyms:
2,2′-Bipiperidine
2,2′-Bipiperidine
2,2′-Bipiperidyl
α,α′-Dipiperidyl
2-(Piperidin-2-yl)piperidine
2-Piperidin-2-ylpiperidine
Identifiers:
SMILES:
C1CCC(C2CCCCN2)NC1
InChI:
InChI=1S/C10H20N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h9-12H,1-8H2
Key Properties
Boiling Point
100-105 °C @ Press: 6 Torr
CAS Common Chemistry
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 | 168.28 g/mol | CAS Common Chemistry |
| 168.28400000000002 g/mol | RDKit | |
| 168.16264864 g/mol | RDKit | |
| Boiling Point | 100-105 °C @ Press: 6 Torr | CAS Common Chemistry |
| Canonical SMILES | N1CCCCC1C2NCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H20N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h9-12H,1-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CLBJZAWCBRAMRZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2′-Bipiperidine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.06 Ų | RDKit |
| LogP | 1.2706 | RDKit |
| Molar Refractivity | 51.28340000000003 | RDKit |
