5-fluoro-3-piperidin-4-yloxy-1H-indazole

C12H14FN3O — CID 84698532

IUPAC5-fluoro-3-piperidin-4-yloxy-1H-indazole
SMILESFc1ccc2[nH]nc(OC3CCNCC3)c2c1
InChIInChI=1S/C12H14FN3O/c13-8-1-2-11-10(7-8)12(16-15-11)17-9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H,15,16)
InChIKeyQLUGPBQKWUIEHT-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.83
Rot. Bonds2

About 5-fluoro-3-piperidin-4-yloxy-1H-indazole

5-fluoro-3-piperidin-4-yloxy-1H-indazole (PubChem CID 84698532) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-fluoro-3-piperidin-4-yloxy-1H-indazole.

Molecular Properties

Compound Name5-fluoro-3-piperidin-4-yloxy-1H-indazole
PubChem CID84698532
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name5-fluoro-3-piperidin-4-yloxy-1H-indazole
SMILESFc1ccc2[nH]nc(OC3CCNCC3)c2c1
InChIInChI=1S/C12H14FN3O/c13-8-1-2-11-10(7-8)12(16-15-11)17-9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H,15,16)
InChIKeyQLUGPBQKWUIEHT-UHFFFAOYSA-N
XLogP1.83
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-piperidin-4-yloxy-1H-indazole?
The IUPAC name of 5-fluoro-3-piperidin-4-yloxy-1H-indazole (CID 84698532) is 5-fluoro-3-piperidin-4-yloxy-1H-indazole.
What is the SMILES notation for 5-fluoro-3-piperidin-4-yloxy-1H-indazole?
The canonical SMILES for 5-fluoro-3-piperidin-4-yloxy-1H-indazole is Fc1ccc2[nH]nc(OC3CCNCC3)c2c1.
What is the InChIKey of 5-fluoro-3-piperidin-4-yloxy-1H-indazole?
The InChIKey is QLUGPBQKWUIEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-8-1-2-11-10(7-8)12(16-15-11)17-9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H,15,16).
What are the key properties of 5-fluoro-3-piperidin-4-yloxy-1H-indazole?
5-fluoro-3-piperidin-4-yloxy-1H-indazole has a molecular weight of 235.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-piperidin-4-yloxy-1H-indazole is sourced from PubChem (CID 84698532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).