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Molecule
N-(4-Aminophenyl)-N,4-Dimethyl-1-Piperazineacetamide
CAS: 262368-30-9 · C14H22N4O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 262368-30-9
- Molecular Formula
- C14H22N4O
- Molecular Mass
- 262.36 g/mol
Identifiers
CAS Registry Number
262368-30-9
SMILES
CN1CCN(CC(=O)N(C)c2ccc(N)cc2)CC1
InChI Key
LBWNQLVDYPNHAV-UHFFFAOYSA-N
InChI
InChI=1S/C14H22N4O/c1-16-7-9-18(10-8-16)11-14(19)17(2)13-5-3-12(15)4-6-13/h3-6H,7-11,15H2,1-2H3
Names and Synonyms
- N-(4-Aminophenyl)-N,4-Dimethyl-1-Piperazineacetamide Synonym
- 1-Piperazineacetamide, N-(4-aminophenyl)-N,4-dimethyl- Synonym
- N-(4-Aminophenyl)-N,4-dimethyl-1-piperazineacetamide Synonym
- N-[[(4-Methylpiperazin-1-yl)methyl]carbonyl]-N-methyl-p-phenylenediamine Synonym
- N-(4-Aminophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 262.36 g/mol | CAS Common Chemistry |
| 262.357 g/mol | RDKit | |
| Canonical SMILES | O=C(N(C1=CC=C(N)C=C1)C)CN2CCN(C)CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H22N4O/c1-16-7-9-18(10-8-16)11-14(19)17(2)13-5-3-12(15)4-6-13/h3-6H,7-11,15H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LBWNQLVDYPNHAV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(4-Aminophenyl)-N,4-dimethyl-1-piperazineacetamide | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.81 Ų | RDKit |
| 52.12 Ų | chempirical lib | |
| LogP | 0.47900000000000087 | RDKit |
| 0.479 | RDKit | |
| Molar Refractivity | 78.20140000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 262.179361324 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
External Resources
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MW = 262.36 g/mol. Edit any field — others recompute live.
