2-methyl-6-(2-methyl-1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

C17H20F3N3O — CID 168826757

IUPAC2-methyl-6-(2-methyl-1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCc1ncc(C2CC(O)(c3ccc(C(F)(F)F)cc3)CC(C)N2)[nH]1
InChIInChI=1S/C17H20F3N3O/c1-10-7-16(24,8-14(22-10)15-9-21-11(2)23-15)12-3-5-13(6-4-12)17(18,19)20/h3-6,9-10,14,22,24H,7-8H2,1-2H3,(H,21,23)
InChIKeyGEHYROTTYCBAOL-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.44
Rot. Bonds2

About 2-methyl-6-(2-methyl-1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

2-methyl-6-(2-methyl-1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 168826757) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-methyl-6-(2-methyl-1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name2-methyl-6-(2-methyl-1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID168826757
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name2-methyl-6-(2-methyl-1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCc1ncc(C2CC(O)(c3ccc(C(F)(F)F)cc3)CC(C)N2)[nH]1
InChIInChI=1S/C17H20F3N3O/c1-10-7-16(24,8-14(22-10)15-9-21-11(2)23-15)12-3-5-13(6-4-12)17(18,19)20/h3-6,9-10,14,22,24H,7-8H2,1-2H3,(H,21,23)
InChIKeyGEHYROTTYCBAOL-UHFFFAOYSA-N
XLogP3.44
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methyl-1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 2-methyl-6-(2-methyl-1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (CID 168826757) is 2-methyl-6-(2-methyl-1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 2-methyl-6-(2-methyl-1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 2-methyl-6-(2-methyl-1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is Cc1ncc(C2CC(O)(c3ccc(C(F)(F)F)cc3)CC(C)N2)[nH]1.
What is the InChIKey of 2-methyl-6-(2-methyl-1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is GEHYROTTYCBAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-10-7-16(24,8-14(22-10)15-9-21-11(2)23-15)12-3-5-13(6-4-12)17(18,19)20/h3-6,9-10,14,22,24H,7-8H2,1-2H3,(H,21,23).
What are the key properties of 2-methyl-6-(2-methyl-1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
2-methyl-6-(2-methyl-1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 339.36 g/mol, XLogP of 3.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methyl-1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 168826757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).