bis(1-(2-fluorophenyl)-3-piperidin-4-yloxyindazole);hydrochloride

C36H37ClF2N6O2 — CID 172813926

IUPACbis(1-(2-fluorophenyl)-3-piperidin-4-yloxyindazole);hydrochloride
SMILESCl.Fc1ccccc1-n1nc(OC2CCNCC2)c2ccccc21.Fc1ccccc1-n1nc(OC2CCNCC2)c2ccccc21
InChIInChI=1S/2C18H18FN3O.ClH/c2*19-15-6-2-4-8-17(15)22-16-7-3-1-5-14(16)18(21-22)23-13-9-11-20-12-10-13;/h2*1-8,13,20H,9-12H2;1H
InChIKeySOFJLVKPKMMEPH-UHFFFAOYSA-N
MW659.18 g/mol
LogP7.01
Rot. Bonds6

About bis(1-(2-fluorophenyl)-3-piperidin-4-yloxyindazole);hydrochloride

bis(1-(2-fluorophenyl)-3-piperidin-4-yloxyindazole);hydrochloride (PubChem CID 172813926) has the molecular formula C36H37ClF2N6O2 and a molecular weight of 659.18 g/mol. Its IUPAC name is bis(1-(2-fluorophenyl)-3-piperidin-4-yloxyindazole);hydrochloride.

Molecular Properties

Compound Namebis(1-(2-fluorophenyl)-3-piperidin-4-yloxyindazole);hydrochloride
PubChem CID172813926
Molecular FormulaC36H37ClF2N6O2
Molecular Weight659.18 g/mol
Exact Mass658.26
IUPAC Namebis(1-(2-fluorophenyl)-3-piperidin-4-yloxyindazole);hydrochloride
SMILESCl.Fc1ccccc1-n1nc(OC2CCNCC2)c2ccccc21.Fc1ccccc1-n1nc(OC2CCNCC2)c2ccccc21
InChIInChI=1S/2C18H18FN3O.ClH/c2*19-15-6-2-4-8-17(15)22-16-7-3-1-5-14(16)18(21-22)23-13-9-11-20-12-10-13;/h2*1-8,13,20H,9-12H2;1H
InChIKeySOFJLVKPKMMEPH-UHFFFAOYSA-N
XLogP7.01
TPSA78.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.18
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(1-(2-fluorophenyl)-3-piperidin-4-yloxyindazole);hydrochloride?
The IUPAC name of bis(1-(2-fluorophenyl)-3-piperidin-4-yloxyindazole);hydrochloride (CID 172813926) is bis(1-(2-fluorophenyl)-3-piperidin-4-yloxyindazole);hydrochloride.
What is the SMILES notation for bis(1-(2-fluorophenyl)-3-piperidin-4-yloxyindazole);hydrochloride?
The canonical SMILES for bis(1-(2-fluorophenyl)-3-piperidin-4-yloxyindazole);hydrochloride is Cl.Fc1ccccc1-n1nc(OC2CCNCC2)c2ccccc21.Fc1ccccc1-n1nc(OC2CCNCC2)c2ccccc21.
What is the InChIKey of bis(1-(2-fluorophenyl)-3-piperidin-4-yloxyindazole);hydrochloride?
The InChIKey is SOFJLVKPKMMEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H18FN3O.ClH/c2*19-15-6-2-4-8-17(15)22-16-7-3-1-5-14(16)18(21-22)23-13-9-11-20-12-10-13;/h2*1-8,13,20H,9-12H2;1H.
What are the key properties of bis(1-(2-fluorophenyl)-3-piperidin-4-yloxyindazole);hydrochloride?
bis(1-(2-fluorophenyl)-3-piperidin-4-yloxyindazole);hydrochloride has a molecular weight of 659.18 g/mol, XLogP of 7.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(2-fluorophenyl)-3-piperidin-4-yloxyindazole);hydrochloride is sourced from PubChem (CID 172813926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).