(3-ethoxy-6-methyl-2-pyridinyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanol

C21H26F3N3O3 — CID 123432378

IUPAC(3-ethoxy-6-methyl-2-pyridinyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanol
SMILESCCOc1ccc(C)nc1C(O)N1CCCC(Oc2ccc(C(F)(F)F)cn2)C1C
InChIInChI=1S/C21H26F3N3O3/c1-4-29-17-9-7-13(2)26-19(17)20(28)27-11-5-6-16(14(27)3)30-18-10-8-15(12-25-18)21(22,23)24/h7-10,12,14,16,20,28H,4-6,11H2,1-3H3
InChIKeyOJZIBQFKFPPWCV-UHFFFAOYSA-N
MW425.45 g/mol
LogP4.13
Rot. Bonds6

About (3-ethoxy-6-methyl-2-pyridinyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanol

(3-ethoxy-6-methyl-2-pyridinyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanol (PubChem CID 123432378) has the molecular formula C21H26F3N3O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is (3-ethoxy-6-methyl-2-pyridinyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanol.

Molecular Properties

Compound Name(3-ethoxy-6-methyl-2-pyridinyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanol
PubChem CID123432378
Molecular FormulaC21H26F3N3O3
Molecular Weight425.45 g/mol
Exact Mass425.19
IUPAC Name(3-ethoxy-6-methyl-2-pyridinyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanol
SMILESCCOc1ccc(C)nc1C(O)N1CCCC(Oc2ccc(C(F)(F)F)cn2)C1C
InChIInChI=1S/C21H26F3N3O3/c1-4-29-17-9-7-13(2)26-19(17)20(28)27-11-5-6-16(14(27)3)30-18-10-8-15(12-25-18)21(22,23)24/h7-10,12,14,16,20,28H,4-6,11H2,1-3H3
InChIKeyOJZIBQFKFPPWCV-UHFFFAOYSA-N
XLogP4.13
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-ethoxy-6-methyl-2-pyridinyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanol with MolForge

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Related Compounds

2-Piperdin-1-ylmethyl-5-(3-piperdin-1-yl-propoxy)-pyridine
CID 11174563
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629
4-[5-(3-Piperidin-1-yl-propoxy)-pyridin-2-ylmethyl]-morpholine
CID 11638322
US10155760, Example 144
CID 118419975
US10155760, Example 119
CID 118429771
Mls002703986
CID 267824
(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 110145959
4-Fluoro-2-[5-[(3-isothiocyanatocyclobutyl)oxymethyl]-2-pyridinyl]-5-methoxypyridine
CID 164622080
US10155760, Example 164
CID 118421394
US10155760, Example 178
CID 118429840
US10155760, Example 187
CID 118429898

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-6-methyl-2-pyridinyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanol?
The IUPAC name of (3-ethoxy-6-methyl-2-pyridinyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanol (CID 123432378) is (3-ethoxy-6-methyl-2-pyridinyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanol.
What is the SMILES notation for (3-ethoxy-6-methyl-2-pyridinyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanol?
The canonical SMILES for (3-ethoxy-6-methyl-2-pyridinyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanol is CCOc1ccc(C)nc1C(O)N1CCCC(Oc2ccc(C(F)(F)F)cn2)C1C.
What is the InChIKey of (3-ethoxy-6-methyl-2-pyridinyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanol?
The InChIKey is OJZIBQFKFPPWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O3/c1-4-29-17-9-7-13(2)26-19(17)20(28)27-11-5-6-16(14(27)3)30-18-10-8-15(12-25-18)21(22,23)24/h7-10,12,14,16,20,28H,4-6,11H2,1-3H3.
What are the key properties of (3-ethoxy-6-methyl-2-pyridinyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanol?
(3-ethoxy-6-methyl-2-pyridinyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanol has a molecular weight of 425.45 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-6-methyl-2-pyridinyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanol is sourced from PubChem (CID 123432378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).