[1-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidin-4-yl]methanol

C16H28F3N3O2Si — CID 170707521

IUPAC[1-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidin-4-yl]methanol
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1N1CCC(CO)CC1
InChIInChI=1S/C16H28F3N3O2Si/c1-25(2,3)9-8-24-12-22-10-14(16(17,18)19)20-15(22)21-6-4-13(11-23)5-7-21/h10,13,23H,4-9,11-12H2,1-3H3
InChIKeyJGSTXUZWCWFXEH-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.42
Rot. Bonds7

About [1-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidin-4-yl]methanol

[1-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidin-4-yl]methanol (PubChem CID 170707521) has the molecular formula C16H28F3N3O2Si and a molecular weight of 379.50 g/mol. Its IUPAC name is [1-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidin-4-yl]methanol
PubChem CID170707521
Molecular FormulaC16H28F3N3O2Si
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name[1-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidin-4-yl]methanol
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1N1CCC(CO)CC1
InChIInChI=1S/C16H28F3N3O2Si/c1-25(2,3)9-8-24-12-22-10-14(16(17,18)19)20-15(22)21-6-4-13(11-23)5-7-21/h10,13,23H,4-9,11-12H2,1-3H3
InChIKeyJGSTXUZWCWFXEH-UHFFFAOYSA-N
XLogP3.42
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidin-4-yl]methanol (CID 170707521) is [1-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidin-4-yl]methanol is C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1N1CCC(CO)CC1.
What is the InChIKey of [1-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidin-4-yl]methanol?
The InChIKey is JGSTXUZWCWFXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N3O2Si/c1-25(2,3)9-8-24-12-22-10-14(16(17,18)19)20-15(22)21-6-4-13(11-23)5-7-21/h10,13,23H,4-9,11-12H2,1-3H3.
What are the key properties of [1-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidin-4-yl]methanol?
[1-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidin-4-yl]methanol has a molecular weight of 379.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 170707521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).