[3-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]oxetan-3-yl]methanol

C14H20F3N3O2 — CID 128963922

IUPAC[3-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]oxetan-3-yl]methanol
SMILESOCC1(CN2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)COC1
InChIInChI=1S/C14H20F3N3O2/c15-14(16,17)11-4-18-12(19-11)10-2-1-3-20(5-10)6-13(7-21)8-22-9-13/h4,10,21H,1-3,5-9H2,(H,18,19)
InChIKeyITFSZIWNJCQERX-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.62
Rot. Bonds4

About [3-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]oxetan-3-yl]methanol

[3-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]oxetan-3-yl]methanol (PubChem CID 128963922) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is [3-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]oxetan-3-yl]methanol
PubChem CID128963922
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name[3-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]oxetan-3-yl]methanol
SMILESOCC1(CN2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)COC1
InChIInChI=1S/C14H20F3N3O2/c15-14(16,17)11-4-18-12(19-11)10-2-1-3-20(5-10)6-13(7-21)8-22-9-13/h4,10,21H,1-3,5-9H2,(H,18,19)
InChIKeyITFSZIWNJCQERX-UHFFFAOYSA-N
XLogP1.62
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]oxetan-3-yl]methanol (CID 128963922) is [3-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]oxetan-3-yl]methanol is OCC1(CN2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)COC1.
What is the InChIKey of [3-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]oxetan-3-yl]methanol?
The InChIKey is ITFSZIWNJCQERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c15-14(16,17)11-4-18-12(19-11)10-2-1-3-20(5-10)6-13(7-21)8-22-9-13/h4,10,21H,1-3,5-9H2,(H,18,19).
What are the key properties of [3-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]oxetan-3-yl]methanol?
[3-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]oxetan-3-yl]methanol has a molecular weight of 319.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 128963922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).