Back to Search
Molecule
1,4′-Bipiperidine, Hydrochloride (1:2)
CAS: 4876-60-2 · C10H22Cl2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4876-60-2
- Molecular Formula
- C10H22Cl2N2
- Molecular Mass
- 241.21 g/mol
Identifiers
CAS Registry Number
4876-60-2
SMILES
C1CCN(C2CCNCC2)CC1.Cl.Cl
InChI Key
BBQDEKNMSAXDAK-UHFFFAOYSA-N
InChI
InChI=1S/C10H20N2.2ClH/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;;/h10-11H,1-9H2;2*1H
Names and Synonyms
- 1,4′-Bipiperidine, Hydrochloride (1:2) Synonym
- 1,4′-Bipiperidine, hydrochloride (1:2) Synonym
- 1,4′-Bipiperidine, dihydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.21 g/mol | CAS Common Chemistry |
| 241.206 g/mol | RDKit | |
| 241.2 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N1CCC(N2CCCCC2)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H20N2.2ClH/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;;/h10-11H,1-9H2;2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=BBQDEKNMSAXDAK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,4′-Bipiperidine, hydrochloride (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 |
| 15.04 Ų | chempirical lib | |
| LogP | 2.0679000000000007 | RDKit |
| 2.0679 | RDKit | |
| Molar Refractivity | 65.81170000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 240.11600406399998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 241.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H22Cl2N2.
