2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol

C21H22ClFN2O — CID 15006448

IUPAC2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C21H22ClFN2O/c22-16-1-6-21-19(13-16)20(15-7-9-24(10-8-15)11-12-26)14-25(21)18-4-2-17(23)3-5-18/h1-6,13-15,26H,7-12H2
InChIKeyANOQQUDEPUAIRE-UHFFFAOYSA-N
MW372.87 g/mol
LogP4.59
Rot. Bonds4

About 2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol

2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol (PubChem CID 15006448) has the molecular formula C21H22ClFN2O and a molecular weight of 372.87 g/mol. Its IUPAC name is 2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol
PubChem CID15006448
Molecular FormulaC21H22ClFN2O
Molecular Weight372.87 g/mol
Exact Mass372.14
IUPAC Name2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C21H22ClFN2O/c22-16-1-6-21-19(13-16)20(15-7-9-24(10-8-15)11-12-26)14-25(21)18-4-2-17(23)3-5-18/h1-6,13-15,26H,7-12H2
InChIKeyANOQQUDEPUAIRE-UHFFFAOYSA-N
XLogP4.59
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-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-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol (CID 15006448) is 2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol is OCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1.
What is the InChIKey of 2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol?
The InChIKey is ANOQQUDEPUAIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O/c22-16-1-6-21-19(13-16)20(15-7-9-24(10-8-15)11-12-26)14-25(21)18-4-2-17(23)3-5-18/h1-6,13-15,26H,7-12H2.
What are the key properties of 2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol?
2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol has a molecular weight of 372.87 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 15006448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).