2-[4-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol

C26H26FN3O — CID 44565093

IUPAC2-[4-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(c2ccc3c(-c4ccncc4)c(-c4ccc(F)cc4)[nH]c3c2)CC1
InChIInChI=1S/C26H26FN3O/c27-22-4-1-20(2-5-22)26-25(19-7-11-28-12-8-19)23-6-3-21(17-24(23)29-26)18-9-13-30(14-10-18)15-16-31/h1-8,11-12,17-18,29,31H,9-10,13-16H2
InChIKeyXSXZCGAGBCHSBX-UHFFFAOYSA-N
MW415.51 g/mol
LogP5.21
Rot. Bonds5

About 2-[4-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol

2-[4-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol (PubChem CID 44565093) has the molecular formula C26H26FN3O and a molecular weight of 415.51 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol
PubChem CID44565093
Molecular FormulaC26H26FN3O
Molecular Weight415.51 g/mol
Exact Mass415.21
IUPAC Name2-[4-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(c2ccc3c(-c4ccncc4)c(-c4ccc(F)cc4)[nH]c3c2)CC1
InChIInChI=1S/C26H26FN3O/c27-22-4-1-20(2-5-22)26-25(19-7-11-28-12-8-19)23-6-3-21(17-24(23)29-26)18-9-13-30(14-10-18)15-16-31/h1-8,11-12,17-18,29,31H,9-10,13-16H2
InChIKeyXSXZCGAGBCHSBX-UHFFFAOYSA-N
XLogP5.21
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol (CID 44565093) is 2-[4-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol is OCCN1CCC(c2ccc3c(-c4ccncc4)c(-c4ccc(F)cc4)[nH]c3c2)CC1.
What is the InChIKey of 2-[4-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol?
The InChIKey is XSXZCGAGBCHSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O/c27-22-4-1-20(2-5-22)26-25(19-7-11-28-12-8-19)23-6-3-21(17-24(23)29-26)18-9-13-30(14-10-18)15-16-31/h1-8,11-12,17-18,29,31H,9-10,13-16H2.
What are the key properties of 2-[4-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol?
2-[4-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol has a molecular weight of 415.51 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 44565093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).