(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol

C15H21F3N2O2 — CID 72871909

IUPAC(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
SMILESCOCC[C@]1(O)CCN(c2cccc(C(F)(F)F)n2)C[C@H]1C
InChIInChI=1S/C15H21F3N2O2/c1-11-10-20(8-6-14(11,21)7-9-22-2)13-5-3-4-12(19-13)15(16,17)18/h3-5,11,21H,6-10H2,1-2H3/t11-,14-/m1/s1
InChIKeyGXLNQODVIGUVGK-BXUZGUMPSA-N
MW318.34 g/mol
LogP2.71
Rot. Bonds4

About (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol

(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol (PubChem CID 72871909) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
PubChem CID72871909
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
SMILESCOCC[C@]1(O)CCN(c2cccc(C(F)(F)F)n2)C[C@H]1C
InChIInChI=1S/C15H21F3N2O2/c1-11-10-20(8-6-14(11,21)7-9-22-2)13-5-3-4-12(19-13)15(16,17)18/h3-5,11,21H,6-10H2,1-2H3/t11-,14-/m1/s1
InChIKeyGXLNQODVIGUVGK-BXUZGUMPSA-N
XLogP2.71
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol (CID 72871909) is (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol is COCC[C@]1(O)CCN(c2cccc(C(F)(F)F)n2)C[C@H]1C.
What is the InChIKey of (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The InChIKey is GXLNQODVIGUVGK-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-11-10-20(8-6-14(11,21)7-9-22-2)13-5-3-4-12(19-13)15(16,17)18/h3-5,11,21H,6-10H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol has a molecular weight of 318.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 72871909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).