3-fluoro-2-(3-piperidin-4-yloxyindazol-1-yl)phenol

C18H18FN3O2 — CID 54757560

IUPAC3-fluoro-2-(3-piperidin-4-yloxyindazol-1-yl)phenol
SMILESOc1cccc(F)c1-n1nc(OC2CCNCC2)c2ccccc21
InChIInChI=1S/C18H18FN3O2/c19-14-5-3-7-16(23)17(14)22-15-6-2-1-4-13(15)18(21-22)24-12-8-10-20-11-9-12/h1-7,12,20,23H,8-11H2
InChIKeyIUTQZHKFJYKMRH-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.00
Rot. Bonds3

About 3-fluoro-2-(3-piperidin-4-yloxyindazol-1-yl)phenol

3-fluoro-2-(3-piperidin-4-yloxyindazol-1-yl)phenol (PubChem CID 54757560) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-fluoro-2-(3-piperidin-4-yloxyindazol-1-yl)phenol.

Molecular Properties

Compound Name3-fluoro-2-(3-piperidin-4-yloxyindazol-1-yl)phenol
PubChem CID54757560
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name3-fluoro-2-(3-piperidin-4-yloxyindazol-1-yl)phenol
SMILESOc1cccc(F)c1-n1nc(OC2CCNCC2)c2ccccc21
InChIInChI=1S/C18H18FN3O2/c19-14-5-3-7-16(23)17(14)22-15-6-2-1-4-13(15)18(21-22)24-12-8-10-20-11-9-12/h1-7,12,20,23H,8-11H2
InChIKeyIUTQZHKFJYKMRH-UHFFFAOYSA-N
XLogP3.00
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3-piperidin-4-yloxyindazol-1-yl)phenol?
The IUPAC name of 3-fluoro-2-(3-piperidin-4-yloxyindazol-1-yl)phenol (CID 54757560) is 3-fluoro-2-(3-piperidin-4-yloxyindazol-1-yl)phenol.
What is the SMILES notation for 3-fluoro-2-(3-piperidin-4-yloxyindazol-1-yl)phenol?
The canonical SMILES for 3-fluoro-2-(3-piperidin-4-yloxyindazol-1-yl)phenol is Oc1cccc(F)c1-n1nc(OC2CCNCC2)c2ccccc21.
What is the InChIKey of 3-fluoro-2-(3-piperidin-4-yloxyindazol-1-yl)phenol?
The InChIKey is IUTQZHKFJYKMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-14-5-3-7-16(23)17(14)22-15-6-2-1-4-13(15)18(21-22)24-12-8-10-20-11-9-12/h1-7,12,20,23H,8-11H2.
What are the key properties of 3-fluoro-2-(3-piperidin-4-yloxyindazol-1-yl)phenol?
3-fluoro-2-(3-piperidin-4-yloxyindazol-1-yl)phenol has a molecular weight of 327.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(3-piperidin-4-yloxyindazol-1-yl)phenol is sourced from PubChem (CID 54757560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).