1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol

C13H20F3N3O — CID 56787475

IUPAC1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2nccn2CC(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3O/c1-10(20)11-2-5-18(6-3-11)8-12-17-4-7-19(12)9-13(14,15)16/h4,7,10-11,20H,2-3,5-6,8-9H2,1H3
InChIKeyDGKHVQPBRNKGIF-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.04
Rot. Bonds4

About 1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol

1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol (PubChem CID 56787475) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol
PubChem CID56787475
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2nccn2CC(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3O/c1-10(20)11-2-5-18(6-3-11)8-12-17-4-7-19(12)9-13(14,15)16/h4,7,10-11,20H,2-3,5-6,8-9H2,1H3
InChIKeyDGKHVQPBRNKGIF-UHFFFAOYSA-N
XLogP2.04
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol (CID 56787475) is 1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol is CC(O)C1CCN(Cc2nccn2CC(F)(F)F)CC1.
What is the InChIKey of 1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol?
The InChIKey is DGKHVQPBRNKGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-10(20)11-2-5-18(6-3-11)8-12-17-4-7-19(12)9-13(14,15)16/h4,7,10-11,20H,2-3,5-6,8-9H2,1H3.
What are the key properties of 1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol?
1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol has a molecular weight of 291.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 56787475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).