6-fluoro-3-piperidin-4-yl-1H-indole

C13H15FN2 — CID 11096077

IUPAC6-fluoro-3-piperidin-4-yl-1H-indole
SMILESFc1ccc2c(C3CCNCC3)c[nH]c2c1
InChIInChI=1S/C13H15FN2/c14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9/h1-2,7-9,15-16H,3-6H2
InChIKeyVNEIHOLJEZRVCL-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.77
Rot. Bonds1

About 6-fluoro-3-piperidin-4-yl-1H-indole

6-fluoro-3-piperidin-4-yl-1H-indole (PubChem CID 11096077) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 6-fluoro-3-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-piperidin-4-yl-1H-indole
PubChem CID11096077
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name6-fluoro-3-piperidin-4-yl-1H-indole
SMILESFc1ccc2c(C3CCNCC3)c[nH]c2c1
InChIInChI=1S/C13H15FN2/c14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9/h1-2,7-9,15-16H,3-6H2
InChIKeyVNEIHOLJEZRVCL-UHFFFAOYSA-N
XLogP2.77
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-piperidin-4-yl-1H-indole?
The IUPAC name of 6-fluoro-3-piperidin-4-yl-1H-indole (CID 11096077) is 6-fluoro-3-piperidin-4-yl-1H-indole.
What is the SMILES notation for 6-fluoro-3-piperidin-4-yl-1H-indole?
The canonical SMILES for 6-fluoro-3-piperidin-4-yl-1H-indole is Fc1ccc2c(C3CCNCC3)c[nH]c2c1.
What is the InChIKey of 6-fluoro-3-piperidin-4-yl-1H-indole?
The InChIKey is VNEIHOLJEZRVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9/h1-2,7-9,15-16H,3-6H2.
What are the key properties of 6-fluoro-3-piperidin-4-yl-1H-indole?
6-fluoro-3-piperidin-4-yl-1H-indole has a molecular weight of 218.28 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-piperidin-4-yl-1H-indole is sourced from PubChem (CID 11096077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).