1-(2,6-difluorophenyl)-3-piperidin-4-yloxyindazole

C18H17F2N3O — CID 11674313

IUPAC1-(2,6-difluorophenyl)-3-piperidin-4-yloxyindazole
SMILESFc1cccc(F)c1-n1nc(OC2CCNCC2)c2ccccc21
InChIInChI=1S/C18H17F2N3O/c19-14-5-3-6-15(20)17(14)23-16-7-2-1-4-13(16)18(22-23)24-12-8-10-21-11-9-12/h1-7,12,21H,8-11H2
InChIKeyDVDGHCLLWLHYLG-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.43
Rot. Bonds3

About 1-(2,6-difluorophenyl)-3-piperidin-4-yloxyindazole

1-(2,6-difluorophenyl)-3-piperidin-4-yloxyindazole (PubChem CID 11674313) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-piperidin-4-yloxyindazole.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-piperidin-4-yloxyindazole
PubChem CID11674313
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name1-(2,6-difluorophenyl)-3-piperidin-4-yloxyindazole
SMILESFc1cccc(F)c1-n1nc(OC2CCNCC2)c2ccccc21
InChIInChI=1S/C18H17F2N3O/c19-14-5-3-6-15(20)17(14)23-16-7-2-1-4-13(16)18(22-23)24-12-8-10-21-11-9-12/h1-7,12,21H,8-11H2
InChIKeyDVDGHCLLWLHYLG-UHFFFAOYSA-N
XLogP3.43
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-piperidin-4-yloxyindazole?
The IUPAC name of 1-(2,6-difluorophenyl)-3-piperidin-4-yloxyindazole (CID 11674313) is 1-(2,6-difluorophenyl)-3-piperidin-4-yloxyindazole.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-piperidin-4-yloxyindazole?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-piperidin-4-yloxyindazole is Fc1cccc(F)c1-n1nc(OC2CCNCC2)c2ccccc21.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-piperidin-4-yloxyindazole?
The InChIKey is DVDGHCLLWLHYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c19-14-5-3-6-15(20)17(14)23-16-7-2-1-4-13(16)18(22-23)24-12-8-10-21-11-9-12/h1-7,12,21H,8-11H2.
What are the key properties of 1-(2,6-difluorophenyl)-3-piperidin-4-yloxyindazole?
1-(2,6-difluorophenyl)-3-piperidin-4-yloxyindazole has a molecular weight of 329.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-piperidin-4-yloxyindazole is sourced from PubChem (CID 11674313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).