6-fluoro-1-(furan-3-ylmethyl)-3-piperidin-4-ylindole

C18H19FN2O — CID 11335513

IUPAC6-fluoro-1-(furan-3-ylmethyl)-3-piperidin-4-ylindole
SMILESFc1ccc2c(C3CCNCC3)cn(Cc3ccoc3)c2c1
InChIInChI=1S/C18H19FN2O/c19-15-1-2-16-17(14-3-6-20-7-4-14)11-21(18(16)9-15)10-13-5-8-22-12-13/h1-2,5,8-9,11-12,14,20H,3-4,6-7,10H2
InChIKeyKMVMYKLTPWTFGE-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.89
Rot. Bonds3

About 6-fluoro-1-(furan-3-ylmethyl)-3-piperidin-4-ylindole

6-fluoro-1-(furan-3-ylmethyl)-3-piperidin-4-ylindole (PubChem CID 11335513) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 6-fluoro-1-(furan-3-ylmethyl)-3-piperidin-4-ylindole.

Molecular Properties

Compound Name6-fluoro-1-(furan-3-ylmethyl)-3-piperidin-4-ylindole
PubChem CID11335513
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name6-fluoro-1-(furan-3-ylmethyl)-3-piperidin-4-ylindole
SMILESFc1ccc2c(C3CCNCC3)cn(Cc3ccoc3)c2c1
InChIInChI=1S/C18H19FN2O/c19-15-1-2-16-17(14-3-6-20-7-4-14)11-21(18(16)9-15)10-13-5-8-22-12-13/h1-2,5,8-9,11-12,14,20H,3-4,6-7,10H2
InChIKeyKMVMYKLTPWTFGE-UHFFFAOYSA-N
XLogP3.89
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(furan-3-ylmethyl)-3-piperidin-4-ylindole?
The IUPAC name of 6-fluoro-1-(furan-3-ylmethyl)-3-piperidin-4-ylindole (CID 11335513) is 6-fluoro-1-(furan-3-ylmethyl)-3-piperidin-4-ylindole.
What is the SMILES notation for 6-fluoro-1-(furan-3-ylmethyl)-3-piperidin-4-ylindole?
The canonical SMILES for 6-fluoro-1-(furan-3-ylmethyl)-3-piperidin-4-ylindole is Fc1ccc2c(C3CCNCC3)cn(Cc3ccoc3)c2c1.
What is the InChIKey of 6-fluoro-1-(furan-3-ylmethyl)-3-piperidin-4-ylindole?
The InChIKey is KMVMYKLTPWTFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-15-1-2-16-17(14-3-6-20-7-4-14)11-21(18(16)9-15)10-13-5-8-22-12-13/h1-2,5,8-9,11-12,14,20H,3-4,6-7,10H2.
What are the key properties of 6-fluoro-1-(furan-3-ylmethyl)-3-piperidin-4-ylindole?
6-fluoro-1-(furan-3-ylmethyl)-3-piperidin-4-ylindole has a molecular weight of 298.36 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(furan-3-ylmethyl)-3-piperidin-4-ylindole is sourced from PubChem (CID 11335513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).