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Molecule
4,4′-Bipiperidine, Hydrochloride (1:2)
CAS: 78619-84-8 · C10H22Cl2N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 78619-84-8
- Molecular Formula
- C10H22Cl2N2
- Molecular Mass
- 241.21 g/mol
Identifiers
CAS Registry Number
78619-84-8
SMILES
C1CC(C2CCNCC2)CCN1.Cl.Cl
InChI Key
MQKBVVIPCLTENX-UHFFFAOYSA-N
InChI
InChI=1S/C10H20N2.2ClH/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h9-12H,1-8H2;2*1H
Names and Synonyms
- 4,4′-Bipiperidine, Hydrochloride (1:2) Systematic Name
- 4,4′-Bipiperidine, hydrochloride (1:2) Synonym
- 4,4′-Bipiperidine, dihydrochloride Synonym
- 4,4′-Dipiperidine dihydrochloride Synonym
- 4,4′-Bipiperidinium dichloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.21 g/mol | CAS Common Chemistry |
| 241.20600000000005 g/mol | RDKit | |
| 241.206 g/mol | RDKit | |
| 241.2 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N1CCC(CC1)C2CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H20N2.2ClH/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h9-12H,1-8H2;2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=MQKBVVIPCLTENX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4,4′-Bipiperidine, hydrochloride (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 1.8292000000000002 | RDKit |
| 1.8292 | RDKit | |
| Molar Refractivity | 65.68340000000003 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
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MW = 241.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H22Cl2N2.
