Basic information
- CAS
102585-50-2- Standard SMILES
C[NH+]1CCN(C(COC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)CC1.[Cl-]- InChIKey
FNXCLQJRWQGPPM-UHFFFAOYSA-N- Molecular formula
- C27H31ClN2O2
- Average molar mass
- 451 g/mol
- Monoisotopic mass
- 450.2074059
Names & identifiers
- Preferred name
- 2-(4-Methylpiperazin-1-yl)-2-phenylethyl diphenylacetate--hydrogen chloride (1/1)
- IUPAC
- [2-(4-methylpiperazin-4-ium-1-yl)-2-phenylethyl] 2,2-diphenylacetate chloride
Names & synonyms
102585-50-2DTXSID809078612-(4-Methylpiperazin-1-yl)-2-phenylethyl diphenylacetate--hydrogen chloride (1/1)RefChem:1061315DTXCID201336949FC 644Diphenylacetic acid beta-(4-methyl-1-piperazinyl)phenethyl ester hydrochlorideAcetic acid, diphenyl-, beta-(4-methyl-1-piperazinyl)phenethyl ester, hydrochloride
Database identifiers
- CAS
102585-50-2- PubChem CID
- 59602
Properties
Computed structural properties
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…