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

C21H25FN2O — CID 13154791

IUPAC2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CC(c3ccc(F)cc3)c3ccccc32)CC1
InChIInChI=1S/C21H25FN2O/c22-17-7-5-16(6-8-17)20-15-21(19-4-2-1-3-18(19)20)24-11-9-23(10-12-24)13-14-25/h1-8,20-21,25H,9-15H2
InChIKeyIEIKIDQXGHFLJU-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.01
Rot. Bonds4

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

2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol (PubChem CID 13154791) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
PubChem CID13154791
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CC(c3ccc(F)cc3)c3ccccc32)CC1
InChIInChI=1S/C21H25FN2O/c22-17-7-5-16(6-8-17)20-15-21(19-4-2-1-3-18(19)20)24-11-9-23(10-12-24)13-14-25/h1-8,20-21,25H,9-15H2
InChIKeyIEIKIDQXGHFLJU-UHFFFAOYSA-N
XLogP3.01
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[3-(4-fluorophenyl)-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)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol (CID 13154791) is 2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol is OCCN1CCN(C2CC(c3ccc(F)cc3)c3ccccc32)CC1.
What is the InChIKey of 2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
The InChIKey is IEIKIDQXGHFLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c22-17-7-5-16(6-8-17)20-15-21(19-4-2-1-3-18(19)20)24-11-9-23(10-12-24)13-14-25/h1-8,20-21,25H,9-15H2.
What are the key properties of 2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol has a molecular weight of 340.44 g/mol, XLogP of 3.01, 4 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)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 13154791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).