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Piperazine, 1-(4-Methoxyphenyl)-, Hydrochloride (1:2)
CAS: 38869-47-5 | C11H18Cl2N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
38869-47-5
Molecular Formula:
C11H18Cl2N2O
Molecular Mass:
265.18 g/mol
Names and Synonyms:
Piperazine, 1-(4-Methoxyphenyl)-, Hydrochloride (1:2)
Piperazine, 1-(4-methoxyphenyl)-, hydrochloride (1:2)
Piperazine, 1-(4-methoxyphenyl)-, dihydrochloride
N-(4-Methoxyphenyl)piperazine dihydrochloride
1-(p-Methoxyphenyl)piperazine dihydrochloride
1-(4-Methoxyphenyl)piperazine dihydrochloride
4-(4-Methoxyphenyl)piperazine dihydrochloride
Identifiers:
SMILES:
COc1ccc(N2CCNCC2)cc1.Cl.Cl
InChI:
InChI=1S/C11H16N2O.2ClH/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13;;/h2-5,12H,6-9H2,1H3;2*1H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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6
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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 |
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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 | 265.18 g/mol | CAS Common Chemistry |
| 265.184 g/mol | RDKit | |
| 264.079618556 g/mol | RDKit | |
| Canonical SMILES | Cl.O(C1=CC=C(C=C1)N2CCNCC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H16N2O.2ClH/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13;;/h2-5,12H,6-9H2,1H3;2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=MMXANKLJIHSIQH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Piperazine, 1-(4-methoxyphenyl)-, hydrochloride (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 24.5 Ų | RDKit |
| LogP | 1.9484000000000004 | RDKit |
| Molar Refractivity | 72.57270000000003 | RDKit |
