4-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one

C15H17F3N2O2 — CID 124881650

IUPAC4-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one
SMILESO=C1CN([C@H]2Cc3ccccc3[C@H]2O)CCN1CC(F)(F)F
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)9-20-6-5-19(8-13(20)21)12-7-10-3-1-2-4-11(10)14(12)22/h1-4,12,14,22H,5-9H2/t12-,14+/m0/s1
InChIKeyBBSBRHHBEGZYPN-GXTWGEPZSA-N
MW314.31 g/mol
LogP1.35
Rot. Bonds2

About 4-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one

4-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one (PubChem CID 124881650) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 4-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one
PubChem CID124881650
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name4-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one
SMILESO=C1CN([C@H]2Cc3ccccc3[C@H]2O)CCN1CC(F)(F)F
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)9-20-6-5-19(8-13(20)21)12-7-10-3-1-2-4-11(10)14(12)22/h1-4,12,14,22H,5-9H2/t12-,14+/m0/s1
InChIKeyBBSBRHHBEGZYPN-GXTWGEPZSA-N
XLogP1.35
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one?
The IUPAC name of 4-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one (CID 124881650) is 4-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one.
What is the SMILES notation for 4-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one?
The canonical SMILES for 4-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one is O=C1CN([C@H]2Cc3ccccc3[C@H]2O)CCN1CC(F)(F)F.
What is the InChIKey of 4-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one?
The InChIKey is BBSBRHHBEGZYPN-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c16-15(17,18)9-20-6-5-19(8-13(20)21)12-7-10-3-1-2-4-11(10)14(12)22/h1-4,12,14,22H,5-9H2/t12-,14+/m0/s1.
What are the key properties of 4-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one?
4-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one has a molecular weight of 314.31 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one is sourced from PubChem (CID 124881650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).