Compound Summary
Compound Information
1,1-Dimethyl-4-phenylpiperazinium iodide
Compound Name: | 1,1-Dimethyl-4-phenylpiperazinium iodide |
Compound CID: | 5911 |
Synonyms: | 1,1-Dimethyl-4-phenylpiperazinium iodide |
Iupac Name: | 1,1-dimethyl-4-phenylpiperazin-1-ium;iodide |
InChI: | InChI=1S/C12H19N2.HI/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-7H,8-11H2,1-2H3;1H/q+1;/p-1 |
InChIKey: | XFZJGFIKQCCLGK-UHFFFAOYSA-M |
Canonical Smiles: | C[N+]1(CCN(CC1)C2=CC=CC=C2)C.[I-] |
Isomeric Smiles: | C[N+]1(CCN(CC1)C2=CC=CC=C2)C.[I-] |
Molecular Weight: | 318.2 |
Molecular Formula: | C12H19IN2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
1,1-Dimethyl-4-phenylpiperazinium iodide
Molecular Weight: | 318.2 |
Molecular Formula: | C12H19IN2 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 2 |
Rotatable Bond Count: | 1 |
Heavy Atom Count: | 15 |
Complexity: | 173 |
Synonyms
1,1-Dimethyl-4-phenylpiperazinium iodide
Experimental Data
1,1-Dimethyl-4-phenylpiperazinium iodide
Experimental Data Visualization
1,1-Dimethyl-4-phenylpiperazinium iodide
Statistics Data
1,1-Dimethyl-4-phenylpiperazinium iodide
Statistics Data Visualization
1,1-Dimethyl-4-phenylpiperazinium iodide
