2-(6-fluoro-3-piperidin-4-ylindazol-1-yl)ethanol

C14H18FN3O — CID 150485482

IUPAC2-(6-fluoro-3-piperidin-4-ylindazol-1-yl)ethanol
SMILESOCCn1nc(C2CCNCC2)c2ccc(F)cc21
InChIInChI=1S/C14H18FN3O/c15-11-1-2-12-13(9-11)18(7-8-19)17-14(12)10-3-5-16-6-4-10/h1-2,9-10,16,19H,3-8H2
InChIKeyHURVMDHZKWKIMM-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.63
Rot. Bonds3

About 2-(6-fluoro-3-piperidin-4-ylindazol-1-yl)ethanol

2-(6-fluoro-3-piperidin-4-ylindazol-1-yl)ethanol (PubChem CID 150485482) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(6-fluoro-3-piperidin-4-ylindazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(6-fluoro-3-piperidin-4-ylindazol-1-yl)ethanol
PubChem CID150485482
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-(6-fluoro-3-piperidin-4-ylindazol-1-yl)ethanol
SMILESOCCn1nc(C2CCNCC2)c2ccc(F)cc21
InChIInChI=1S/C14H18FN3O/c15-11-1-2-12-13(9-11)18(7-8-19)17-14(12)10-3-5-16-6-4-10/h1-2,9-10,16,19H,3-8H2
InChIKeyHURVMDHZKWKIMM-UHFFFAOYSA-N
XLogP1.63
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-piperidin-4-ylindazol-1-yl)ethanol?
The IUPAC name of 2-(6-fluoro-3-piperidin-4-ylindazol-1-yl)ethanol (CID 150485482) is 2-(6-fluoro-3-piperidin-4-ylindazol-1-yl)ethanol.
What is the SMILES notation for 2-(6-fluoro-3-piperidin-4-ylindazol-1-yl)ethanol?
The canonical SMILES for 2-(6-fluoro-3-piperidin-4-ylindazol-1-yl)ethanol is OCCn1nc(C2CCNCC2)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-3-piperidin-4-ylindazol-1-yl)ethanol?
The InChIKey is HURVMDHZKWKIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-11-1-2-12-13(9-11)18(7-8-19)17-14(12)10-3-5-16-6-4-10/h1-2,9-10,16,19H,3-8H2.
What are the key properties of 2-(6-fluoro-3-piperidin-4-ylindazol-1-yl)ethanol?
2-(6-fluoro-3-piperidin-4-ylindazol-1-yl)ethanol has a molecular weight of 263.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3-piperidin-4-ylindazol-1-yl)ethanol is sourced from PubChem (CID 150485482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).