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1,4′-Bipiperidine
CAS: 4897-50-1 | C10H20N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4897-50-1
Molecular Formula:
C10H20N2
Molecular Mass:
168.28 g/mol
Names and Synonyms:
1,4′-Bipiperidine
1,4′-Bipiperidine
4-Piperidinopiperidine
4-(1-Piperidinyl)piperidine
[1,4′]Bipiperidinyl
4-(1-Piperidino)piperidine
1-(Piperidin-4-yl)piperidine
1-(4-Piperidyl)piperidine
Identifiers:
SMILES:
C1CCN(C2CCNCC2)CC1
InChI:
InChI=1S/C10H20N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h10-11H,1-9H2
Key Properties
Melting Point
63-66 °C
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 |
| 168.28399999999996 g/mol | RDKit | |
| 168.16264864 g/mol | RDKit | |
| Canonical SMILES | N1CCC(N2CCCCC2)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H20N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h10-11H,1-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QDVBKXJMLILLLB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 63-66 °C | CAS Common Chemistry |
| Name | 1,4′-Bipiperidine | 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 | 0 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| LogP | 1.2242999999999997 | RDKit |
| Molar Refractivity | 51.315700000000035 | RDKit |
