1,3-Indandiol, 2-phenyl-2-(2-(4-phenyl-1-piperazinyl)ethyl)-
Basic information
- CAS
21569-44-8- Standard SMILES
OC1c2ccccc2C(O)C1(CCN1CCN(c2ccccc2)CC1)c1ccccc1- InChIKey
OMTHDQCTMUBONW-UHFFFAOYSA-N- Molecular formula
- C27H30N2O2
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.2307282
Names & identifiers
- Preferred name
- 1,3-Indandiol, 2-phenyl-2-(2-(4-phenyl-1-piperazinyl)ethyl)-
- IUPAC
- 2-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dihydroindene-1,3-diol
Names & synonyms
21569-44-8BRN 05883761,3-Indandiol, 2-phenyl-2-(2-(4-phenyl-1-piperazinyl)ethyl)-2-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1h-indene-1,3-diolDTXSID009441772-(2-(4-Phenyl-1-piperazinyl)ethyl)-2-phenyl-indandiol-1,3
Database identifiers
- CAS
21569-44-8- PubChem CID
- 210722
- DTXSID
DTXSID00944177
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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