5-chloro-1-(4-fluorophenyl)-3-(2-piperidin-1-ylethoxy)indole

C21H22ClFN2O — CID 10499570

IUPAC5-chloro-1-(4-fluorophenyl)-3-(2-piperidin-1-ylethoxy)indole
SMILESFc1ccc(-n2cc(OCCN3CCCCC3)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C21H22ClFN2O/c22-16-4-9-20-19(14-16)21(26-13-12-24-10-2-1-3-11-24)15-25(20)18-7-5-17(23)6-8-18/h4-9,14-15H,1-3,10-13H2
InChIKeyGAOSWGAJUGKDAT-UHFFFAOYSA-N
MW372.87 g/mol
LogP5.29
Rot. Bonds5

About 5-chloro-1-(4-fluorophenyl)-3-(2-piperidin-1-ylethoxy)indole

5-chloro-1-(4-fluorophenyl)-3-(2-piperidin-1-ylethoxy)indole (PubChem CID 10499570) has the molecular formula C21H22ClFN2O and a molecular weight of 372.87 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-3-(2-piperidin-1-ylethoxy)indole.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-3-(2-piperidin-1-ylethoxy)indole
PubChem CID10499570
Molecular FormulaC21H22ClFN2O
Molecular Weight372.87 g/mol
Exact Mass372.14
IUPAC Name5-chloro-1-(4-fluorophenyl)-3-(2-piperidin-1-ylethoxy)indole
SMILESFc1ccc(-n2cc(OCCN3CCCCC3)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C21H22ClFN2O/c22-16-4-9-20-19(14-16)21(26-13-12-24-10-2-1-3-11-24)15-25(20)18-7-5-17(23)6-8-18/h4-9,14-15H,1-3,10-13H2
InChIKeyGAOSWGAJUGKDAT-UHFFFAOYSA-N
XLogP5.29
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.87
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-(2-piperidin-1-ylethoxy)indole?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-(2-piperidin-1-ylethoxy)indole (CID 10499570) is 5-chloro-1-(4-fluorophenyl)-3-(2-piperidin-1-ylethoxy)indole.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-3-(2-piperidin-1-ylethoxy)indole?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-3-(2-piperidin-1-ylethoxy)indole is Fc1ccc(-n2cc(OCCN3CCCCC3)c3cc(Cl)ccc32)cc1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-3-(2-piperidin-1-ylethoxy)indole?
The InChIKey is GAOSWGAJUGKDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O/c22-16-4-9-20-19(14-16)21(26-13-12-24-10-2-1-3-11-24)15-25(20)18-7-5-17(23)6-8-18/h4-9,14-15H,1-3,10-13H2.
What are the key properties of 5-chloro-1-(4-fluorophenyl)-3-(2-piperidin-1-ylethoxy)indole?
5-chloro-1-(4-fluorophenyl)-3-(2-piperidin-1-ylethoxy)indole has a molecular weight of 372.87 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-3-(2-piperidin-1-ylethoxy)indole is sourced from PubChem (CID 10499570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).