3-(3-ethylpiperidin-4-yl)-6-fluoro-1H-indole

C15H19FN2 — CID 114509796

IUPAC3-(3-ethylpiperidin-4-yl)-6-fluoro-1H-indole
SMILESCCC1CNCCC1c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H19FN2/c1-2-10-8-17-6-5-12(10)14-9-18-15-7-11(16)3-4-13(14)15/h3-4,7,9-10,12,17-18H,2,5-6,8H2,1H3
InChIKeyUSSBVSBVKRYHAS-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.41
Rot. Bonds2

About 3-(3-ethylpiperidin-4-yl)-6-fluoro-1H-indole

3-(3-ethylpiperidin-4-yl)-6-fluoro-1H-indole (PubChem CID 114509796) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-(3-ethylpiperidin-4-yl)-6-fluoro-1H-indole.

Molecular Properties

Compound Name3-(3-ethylpiperidin-4-yl)-6-fluoro-1H-indole
PubChem CID114509796
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name3-(3-ethylpiperidin-4-yl)-6-fluoro-1H-indole
SMILESCCC1CNCCC1c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H19FN2/c1-2-10-8-17-6-5-12(10)14-9-18-15-7-11(16)3-4-13(14)15/h3-4,7,9-10,12,17-18H,2,5-6,8H2,1H3
InChIKeyUSSBVSBVKRYHAS-UHFFFAOYSA-N
XLogP3.41
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpiperidin-4-yl)-6-fluoro-1H-indole?
The IUPAC name of 3-(3-ethylpiperidin-4-yl)-6-fluoro-1H-indole (CID 114509796) is 3-(3-ethylpiperidin-4-yl)-6-fluoro-1H-indole.
What is the SMILES notation for 3-(3-ethylpiperidin-4-yl)-6-fluoro-1H-indole?
The canonical SMILES for 3-(3-ethylpiperidin-4-yl)-6-fluoro-1H-indole is CCC1CNCCC1c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 3-(3-ethylpiperidin-4-yl)-6-fluoro-1H-indole?
The InChIKey is USSBVSBVKRYHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-2-10-8-17-6-5-12(10)14-9-18-15-7-11(16)3-4-13(14)15/h3-4,7,9-10,12,17-18H,2,5-6,8H2,1H3.
What are the key properties of 3-(3-ethylpiperidin-4-yl)-6-fluoro-1H-indole?
3-(3-ethylpiperidin-4-yl)-6-fluoro-1H-indole has a molecular weight of 246.33 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpiperidin-4-yl)-6-fluoro-1H-indole is sourced from PubChem (CID 114509796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).