2-[4-[3-(4-fluorophenyl)-6-propan-2-yl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol

C24H31FN2O — CID 13154798

IUPAC2-[4-[3-(4-fluorophenyl)-6-propan-2-yl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
SMILESCC(C)c1ccc2c(c1)C(N1CCN(CCO)CC1)CC2c1ccc(F)cc1
InChIInChI=1S/C24H31FN2O/c1-17(2)19-5-8-21-22(18-3-6-20(25)7-4-18)16-24(23(21)15-19)27-11-9-26(10-12-27)13-14-28/h3-8,15,17,22,24,28H,9-14,16H2,1-2H3
InChIKeyLUZRJLPCCNZOME-UHFFFAOYSA-N
MW382.52 g/mol
LogP4.14
Rot. Bonds5

About 2-[4-[3-(4-fluorophenyl)-6-propan-2-yl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol

2-[4-[3-(4-fluorophenyl)-6-propan-2-yl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol (PubChem CID 13154798) has the molecular formula C24H31FN2O and a molecular weight of 382.52 g/mol. Its IUPAC name is 2-[4-[3-(4-fluorophenyl)-6-propan-2-yl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(4-fluorophenyl)-6-propan-2-yl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
PubChem CID13154798
Molecular FormulaC24H31FN2O
Molecular Weight382.52 g/mol
Exact Mass382.24
IUPAC Name2-[4-[3-(4-fluorophenyl)-6-propan-2-yl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
SMILESCC(C)c1ccc2c(c1)C(N1CCN(CCO)CC1)CC2c1ccc(F)cc1
InChIInChI=1S/C24H31FN2O/c1-17(2)19-5-8-21-22(18-3-6-20(25)7-4-18)16-24(23(21)15-19)27-11-9-26(10-12-27)13-14-28/h3-8,15,17,22,24,28H,9-14,16H2,1-2H3
InChIKeyLUZRJLPCCNZOME-UHFFFAOYSA-N
XLogP4.14
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[3-(4-fluorophenyl)-6-propan-2-yl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol 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 2-[4-[3-(4-fluorophenyl)-6-propan-2-yl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(4-fluorophenyl)-6-propan-2-yl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol (CID 13154798) is 2-[4-[3-(4-fluorophenyl)-6-propan-2-yl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(4-fluorophenyl)-6-propan-2-yl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(4-fluorophenyl)-6-propan-2-yl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol is CC(C)c1ccc2c(c1)C(N1CCN(CCO)CC1)CC2c1ccc(F)cc1.
What is the InChIKey of 2-[4-[3-(4-fluorophenyl)-6-propan-2-yl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
The InChIKey is LUZRJLPCCNZOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O/c1-17(2)19-5-8-21-22(18-3-6-20(25)7-4-18)16-24(23(21)15-19)27-11-9-26(10-12-27)13-14-28/h3-8,15,17,22,24,28H,9-14,16H2,1-2H3.
What are the key properties of 2-[4-[3-(4-fluorophenyl)-6-propan-2-yl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
2-[4-[3-(4-fluorophenyl)-6-propan-2-yl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol has a molecular weight of 382.52 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-fluorophenyl)-6-propan-2-yl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 13154798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).