2-ethyl-6-fluoro-1-phenyl-3-piperidin-4-ylindole

C21H23FN2 — CID 58748000

IUPAC2-ethyl-6-fluoro-1-phenyl-3-piperidin-4-ylindole
SMILESCCc1c(C2CCNCC2)c2ccc(F)cc2n1-c1ccccc1
InChIInChI=1S/C21H23FN2/c1-2-19-21(15-10-12-23-13-11-15)18-9-8-16(22)14-20(18)24(19)17-6-4-3-5-7-17/h3-9,14-15,23H,2,10-13H2,1H3
InChIKeyWFXFNUYCLVWOHP-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.80
Rot. Bonds3

About 2-ethyl-6-fluoro-1-phenyl-3-piperidin-4-ylindole

2-ethyl-6-fluoro-1-phenyl-3-piperidin-4-ylindole (PubChem CID 58748000) has the molecular formula C21H23FN2 and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-1-phenyl-3-piperidin-4-ylindole.

Molecular Properties

Compound Name2-ethyl-6-fluoro-1-phenyl-3-piperidin-4-ylindole
PubChem CID58748000
Molecular FormulaC21H23FN2
Molecular Weight322.43 g/mol
Exact Mass322.18
IUPAC Name2-ethyl-6-fluoro-1-phenyl-3-piperidin-4-ylindole
SMILESCCc1c(C2CCNCC2)c2ccc(F)cc2n1-c1ccccc1
InChIInChI=1S/C21H23FN2/c1-2-19-21(15-10-12-23-13-11-15)18-9-8-16(22)14-20(18)24(19)17-6-4-3-5-7-17/h3-9,14-15,23H,2,10-13H2,1H3
InChIKeyWFXFNUYCLVWOHP-UHFFFAOYSA-N
XLogP4.80
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-1-phenyl-3-piperidin-4-ylindole?
The IUPAC name of 2-ethyl-6-fluoro-1-phenyl-3-piperidin-4-ylindole (CID 58748000) is 2-ethyl-6-fluoro-1-phenyl-3-piperidin-4-ylindole.
What is the SMILES notation for 2-ethyl-6-fluoro-1-phenyl-3-piperidin-4-ylindole?
The canonical SMILES for 2-ethyl-6-fluoro-1-phenyl-3-piperidin-4-ylindole is CCc1c(C2CCNCC2)c2ccc(F)cc2n1-c1ccccc1.
What is the InChIKey of 2-ethyl-6-fluoro-1-phenyl-3-piperidin-4-ylindole?
The InChIKey is WFXFNUYCLVWOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2/c1-2-19-21(15-10-12-23-13-11-15)18-9-8-16(22)14-20(18)24(19)17-6-4-3-5-7-17/h3-9,14-15,23H,2,10-13H2,1H3.
What are the key properties of 2-ethyl-6-fluoro-1-phenyl-3-piperidin-4-ylindole?
2-ethyl-6-fluoro-1-phenyl-3-piperidin-4-ylindole has a molecular weight of 322.43 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-1-phenyl-3-piperidin-4-ylindole is sourced from PubChem (CID 58748000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).