1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one

C23H25F3N2O2 — CID 59493106

IUPAC1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C23H25F3N2O2/c1-21(2,3)20(29)28-12-10-27(11-13-28)15-8-9-17-16-6-4-5-7-18(16)22(30,19(17)14-15)23(24,25)26/h4-9,14,30H,10-13H2,1-3H3
InChIKeyLDPCGEGBHRAVPX-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.16
Rot. Bonds1

About 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 59493106) has the molecular formula C23H25F3N2O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID59493106
Molecular FormulaC23H25F3N2O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C23H25F3N2O2/c1-21(2,3)20(29)28-12-10-27(11-13-28)15-8-9-17-16-6-4-5-7-18(16)22(30,19(17)14-15)23(24,25)26/h4-9,14,30H,10-13H2,1-3H3
InChIKeyLDPCGEGBHRAVPX-UHFFFAOYSA-N
XLogP4.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-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 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 59493106) is 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1.
What is the InChIKey of 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is LDPCGEGBHRAVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O2/c1-21(2,3)20(29)28-12-10-27(11-13-28)15-8-9-17-16-6-4-5-7-18(16)22(30,19(17)14-15)23(24,25)26/h4-9,14,30H,10-13H2,1-3H3.
What are the key properties of 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 418.46 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 59493106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).