5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole

C17H23FN2 — CID 117177142

IUPAC5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
SMILESCC(C)n1c(CN2CCCCC2)cc2cc(F)ccc21
InChIInChI=1S/C17H23FN2/c1-13(2)20-16(12-19-8-4-3-5-9-19)11-14-10-15(18)6-7-17(14)20/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyBRGWUPKORAVRJW-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.35
Rot. Bonds3

About 5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole

5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole (PubChem CID 117177142) has the molecular formula C17H23FN2 and a molecular weight of 274.38 g/mol. Its IUPAC name is 5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole.

Molecular Properties

Compound Name5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
PubChem CID117177142
Molecular FormulaC17H23FN2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Name5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
SMILESCC(C)n1c(CN2CCCCC2)cc2cc(F)ccc21
InChIInChI=1S/C17H23FN2/c1-13(2)20-16(12-19-8-4-3-5-9-19)11-14-10-15(18)6-7-17(14)20/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyBRGWUPKORAVRJW-UHFFFAOYSA-N
XLogP4.35
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole?
The IUPAC name of 5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole (CID 117177142) is 5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole.
What is the SMILES notation for 5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole?
The canonical SMILES for 5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole is CC(C)n1c(CN2CCCCC2)cc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole?
The InChIKey is BRGWUPKORAVRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2/c1-13(2)20-16(12-19-8-4-3-5-9-19)11-14-10-15(18)6-7-17(14)20/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3.
What are the key properties of 5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole?
5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole has a molecular weight of 274.38 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole is sourced from PubChem (CID 117177142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).