Basic information
- CAS
110530-52-4- Standard SMILES
CN1CCN(CCOC(=O)C(c2ccccc2)c2ccccc2)CC1.Cl.Cl- InChIKey
VNEGGAUSFGBNNB-UHFFFAOYSA-N- Molecular formula
- C21H28Cl2N2O2
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 410.1527835
Names & identifiers
- Preferred name
- Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride
- IUPAC
- 2-(4-methylpiperazin-1-yl)ethyl 2,2-diphenylacetate;dihydrochloride
Names & synonyms
ACETIC ACID, DIPHENYL-, 2-(4-METHYL-1-PIPERAZINYL)ETHYL ESTER, DIHYDROCHLORIDEDiphenylacetic acid 2-(4-methyl-1-piperazinyl)ethyl ester dihydrochloride110530-52-4DTXSID80149284RefChem:316613DTXCID30717752-(4-Methylpiperazin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/2)
Database identifiers
- CAS
110530-52-4- PubChem CID
- 60451
- DTXSID
DTXSID80149284
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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