1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-ol

C10H12F3N3O — CID 51064078

IUPAC1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-ol
SMILESOC1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-1-2-9(15-14-8)16-5-3-7(17)4-6-16/h1-2,7,17H,3-6H2
InChIKeyQOPOCAIWPRTTDO-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.46
Rot. Bonds1

About 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-ol

1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-ol (PubChem CID 51064078) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-ol
PubChem CID51064078
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-ol
SMILESOC1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-1-2-9(15-14-8)16-5-3-7(17)4-6-16/h1-2,7,17H,3-6H2
InChIKeyQOPOCAIWPRTTDO-UHFFFAOYSA-N
XLogP1.46
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Piperidinol, 1-(6-phenyl-3-pyridazinyl)-
CID 3022103
4-Piperidinol, 1-(6-(4-fluorophenyl)-3-pyridazinyl)-
CID 3022104
4-Piperidinol, 1-(6-(2-fluorophenyl)-3-pyridazinyl)-
CID 6410593
1-{6-[3-(Trifluoromethyl)phenyl]-3-pyridazinyl}-4-piperidinol
CID 13362210
1-[6-(3,4-Difluorophenyl)pyridazin-3-yl]piperidin-4-ol
CID 44348230
2-[6,6-Difluoro-2-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-9-yl]ethanol
CID 118744563
(3S*,4S*)-4-methyl-1-(6-methylpyridazin-3-yl)piperidine-3,4-diol
CID 72863299
[(2R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol
CID 97078635
[1-[[Methyl-(6-methylpyridazin-3-yl)amino]methyl]cyclopropyl]methanol
CID 126838288
(3S)-1-(6-methylpyridazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 129354000
3-[4-(2-Methylpropoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridazine
CID 136519197
3-[4-(1-Cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine
CID 11646684

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-ol?
The IUPAC name of 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-ol (CID 51064078) is 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-ol is OC1CCN(c2ccc(C(F)(F)F)nn2)CC1.
What is the InChIKey of 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-ol?
The InChIKey is QOPOCAIWPRTTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)8-1-2-9(15-14-8)16-5-3-7(17)4-6-16/h1-2,7,17H,3-6H2.
What are the key properties of 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-ol?
1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-ol has a molecular weight of 247.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-ol is sourced from PubChem (CID 51064078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).