trans-4-(3-(4-Fluorophenyl)-2,3-dihydro-6-(trifluoromethyl)-1H-inden-1-yl)piperazine-1-ethanol dihydrochloride
Basic information
- CAS
85118-23-6- Standard SMILES
Cl.Cl.OCCN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(C(F)(F)F)cc32)CC1- InChIKey
BUCOJINYCJKMRH-NPGCWXMXSA-N- Molecular formula
- C22H26Cl2F4N2O
- Average molar mass
- 481.4 g/mol
- Monoisotopic mass
- 480.1358315
Names & identifiers
- Preferred name
- trans-4-(3-(4-Fluorophenyl)-2,3-dihydro-6-(trifluoromethyl)-1H-inden-1-yl)piperazine-1-ethanol dihydrochloride
- IUPAC
- 2-[4-[(1S,3R)-3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride
- English name
- trans-4-[3-(4-fluorophenyl)-2,3-dihydro-6-(trifluoromethyl)-1H-inden-1-yl]piperazine-1-ethanol dihydrochloride
- Molecular formula
- C22H26Cl2F4N2O
- Molecular weight
- 481.3542528
Names & synonyms
85118-23-6EINECS 285-676-7trans-4-(3-(4-Fluorophenyl)-2,3-dihydro-6-(trifluoromethyl)-1H-inden-1-yl)piperazine-1-ethanol dihydrochlorideBUCOJINYCJKMRH-NPGCWXMXSA-NDTXSID7010055152-{4-[(1S,3R)-3-(4-Fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl}ethan-1-ol--hydrogen chloride (1/2)2-{4-[3-(4-Fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl}ethan-1-ol--hydrogen chloride (1/2)trans-4-[3-(4-fluorophenyl)-2,3-dihydro-6-(trifluoromethyl)-1H-inden-1-yl]piperazine-1-ethanol dihydrochloride
Database identifiers
- CAS
85118-23-6- PubChem CID
- 44147461
- DTXSID
DTXSID701005515- EC Number
- 285-676-7
Properties
Computed structural properties
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 529
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Compound notes
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