4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol

C19H20FN3O — CID 162643640

IUPAC4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol
SMILESOc1ccc2[nH]ncc2c1C(c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C19H20FN3O/c20-14-6-4-13(5-7-14)19(23-10-2-1-3-11-23)18-15-12-21-22-16(15)8-9-17(18)24/h4-9,12,19,24H,1-3,10-11H2,(H,21,22)
InChIKeyTXEWFPSKHMOWRP-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.98
Rot. Bonds3

About 4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol

4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol (PubChem CID 162643640) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol
PubChem CID162643640
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol
SMILESOc1ccc2[nH]ncc2c1C(c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C19H20FN3O/c20-14-6-4-13(5-7-14)19(23-10-2-1-3-11-23)18-15-12-21-22-16(15)8-9-17(18)24/h4-9,12,19,24H,1-3,10-11H2,(H,21,22)
InChIKeyTXEWFPSKHMOWRP-UHFFFAOYSA-N
XLogP3.98
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole
CID 136901416
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide
CID 155545338
4-[(4-nitrophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol
CID 162651974
4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol
CID 162662166
4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol
CID 162676829
3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol
CID 164621474
2-fluoro-4-(1H-indazol-6-yl)phenol
CID 145956264
3-[[3-[(1H-Indazol-5-yl)amino]piperidin-1-yl]methyl]phenol
CID 57446049
5-[[3-[(1H-Indazol-5-yl)amino]piperidin-1-yl]methyl]-2-methylphenol
CID 57446053
5-[[3-[(1H-Indazol-5-yl)amino]piperidin-1-yl]methyl]-2-iodophenol
CID 57446060
3-fluoro-4-(1H-indazol-6-yl)phenol
CID 145957742
4-(1H-indazol-6-yl)-3-methylphenol
CID 145958601

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol?
The IUPAC name of 4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol (CID 162643640) is 4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol.
What is the SMILES notation for 4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol?
The canonical SMILES for 4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol is Oc1ccc2[nH]ncc2c1C(c1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of 4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol?
The InChIKey is TXEWFPSKHMOWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-14-6-4-13(5-7-14)19(23-10-2-1-3-11-23)18-15-12-21-22-16(15)8-9-17(18)24/h4-9,12,19,24H,1-3,10-11H2,(H,21,22).
What are the key properties of 4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol?
4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol has a molecular weight of 325.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol is sourced from PubChem (CID 162643640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).