(3-Aminophenyl)(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazin-1-yl)methanone

HCID 86638579
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Basic information

Standard SMILES
Nc1cccc(C(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)c1
InChIKey
QOGSCYREUHHBHX-UHFFFAOYSA-N
Molecular formula
C21H21F6N3O2
Average molar mass
461.4 g/mol
Monoisotopic mass
461.15379589

Names & identifiers

Preferred name
(3-Aminophenyl)(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazin-1-yl)methanone
IUPAC
(3-aminophenyl)-[4-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]piperazin-1-yl]methanone

Names & synonyms

(3-aminophenyl)(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazin-1-yl)methanoneSCHEMBL1512494

Database identifiers

PubChem CID
86638579

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
69.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
4
Heavy atoms
32

Related reactions

2 records
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Compound notes

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