2-(5-ethyl-1H-imidazol-2-yl)-1-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone

C14H20F3N3O2 — CID 136566061

IUPAC2-(5-ethyl-1H-imidazol-2-yl)-1-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCCc1cnc(CC(=O)N2CCC(CO)(C(F)(F)F)CC2)[nH]1
InChIInChI=1S/C14H20F3N3O2/c1-2-10-8-18-11(19-10)7-12(22)20-5-3-13(9-21,4-6-20)14(15,16)17/h8,21H,2-7,9H2,1H3,(H,18,19)
InChIKeyZNAXSRUKYGGQBK-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.68
Rot. Bonds4

About 2-(5-ethyl-1H-imidazol-2-yl)-1-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone

2-(5-ethyl-1H-imidazol-2-yl)-1-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 136566061) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-(5-ethyl-1H-imidazol-2-yl)-1-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-ethyl-1H-imidazol-2-yl)-1-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID136566061
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name2-(5-ethyl-1H-imidazol-2-yl)-1-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCCc1cnc(CC(=O)N2CCC(CO)(C(F)(F)F)CC2)[nH]1
InChIInChI=1S/C14H20F3N3O2/c1-2-10-8-18-11(19-10)7-12(22)20-5-3-13(9-21,4-6-20)14(15,16)17/h8,21H,2-7,9H2,1H3,(H,18,19)
InChIKeyZNAXSRUKYGGQBK-UHFFFAOYSA-N
XLogP1.68
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1H-imidazol-2-yl)-1-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-ethyl-1H-imidazol-2-yl)-1-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 136566061) is 2-(5-ethyl-1H-imidazol-2-yl)-1-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-ethyl-1H-imidazol-2-yl)-1-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-ethyl-1H-imidazol-2-yl)-1-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone is CCc1cnc(CC(=O)N2CCC(CO)(C(F)(F)F)CC2)[nH]1.
What is the InChIKey of 2-(5-ethyl-1H-imidazol-2-yl)-1-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is ZNAXSRUKYGGQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-2-10-8-18-11(19-10)7-12(22)20-5-3-13(9-21,4-6-20)14(15,16)17/h8,21H,2-7,9H2,1H3,(H,18,19).
What are the key properties of 2-(5-ethyl-1H-imidazol-2-yl)-1-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(5-ethyl-1H-imidazol-2-yl)-1-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 319.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1H-imidazol-2-yl)-1-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 136566061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).