1-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]-2-methylbutan-2-ol

C16H23FN4O — CID 67561238

IUPAC1-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]-2-methylbutan-2-ol
SMILESCCC(C)(O)CN1CCN(c2n[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C16H23FN4O/c1-3-16(2,22)11-20-6-8-21(9-7-20)15-13-5-4-12(17)10-14(13)18-19-15/h4-5,10,22H,3,6-9,11H2,1-2H3,(H,18,19)
InChIKeySKZQEHIXJACBMP-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.99
Rot. Bonds4

About 1-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]-2-methylbutan-2-ol

1-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]-2-methylbutan-2-ol (PubChem CID 67561238) has the molecular formula C16H23FN4O and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]-2-methylbutan-2-ol
PubChem CID67561238
Molecular FormulaC16H23FN4O
Molecular Weight306.38 g/mol
Exact Mass306.19
IUPAC Name1-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]-2-methylbutan-2-ol
SMILESCCC(C)(O)CN1CCN(c2n[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C16H23FN4O/c1-3-16(2,22)11-20-6-8-21(9-7-20)15-13-5-4-12(17)10-14(13)18-19-15/h4-5,10,22H,3,6-9,11H2,1-2H3,(H,18,19)
InChIKeySKZQEHIXJACBMP-UHFFFAOYSA-N
XLogP1.99
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 1-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]-2-methylbutan-2-ol (CID 67561238) is 1-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 1-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]-2-methylbutan-2-ol is CCC(C)(O)CN1CCN(c2n[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 1-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]-2-methylbutan-2-ol?
The InChIKey is SKZQEHIXJACBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O/c1-3-16(2,22)11-20-6-8-21(9-7-20)15-13-5-4-12(17)10-14(13)18-19-15/h4-5,10,22H,3,6-9,11H2,1-2H3,(H,18,19).
What are the key properties of 1-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]-2-methylbutan-2-ol?
1-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]-2-methylbutan-2-ol has a molecular weight of 306.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 67561238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).