2,6-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine

C18H20F3N3O — CID 18357095

IUPAC2,6-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine
SMILESCc1cc(N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc(C)n1
InChIInChI=1S/C18H20F3N3O/c1-12-9-15(10-13(2)23-12)24-7-5-16(6-8-24)25-17-4-3-14(11-22-17)18(19,20)21/h3-4,9-11,16H,5-8H2,1-2H3
InChIKeyZVUUXSGXPBRBPE-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.16
Rot. Bonds3

About 2,6-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine

2,6-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine (PubChem CID 18357095) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine
PubChem CID18357095
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name2,6-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine
SMILESCc1cc(N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc(C)n1
InChIInChI=1S/C18H20F3N3O/c1-12-9-15(10-13(2)23-12)24-7-5-16(6-8-24)25-17-4-3-14(11-22-17)18(19,20)21/h3-4,9-11,16H,5-8H2,1-2H3
InChIKeyZVUUXSGXPBRBPE-UHFFFAOYSA-N
XLogP4.16
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine?
The IUPAC name of 2,6-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine (CID 18357095) is 2,6-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine.
What is the SMILES notation for 2,6-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine?
The canonical SMILES for 2,6-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine is Cc1cc(N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine?
The InChIKey is ZVUUXSGXPBRBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-12-9-15(10-13(2)23-12)24-7-5-16(6-8-24)25-17-4-3-14(11-22-17)18(19,20)21/h3-4,9-11,16H,5-8H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine?
2,6-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine has a molecular weight of 351.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine is sourced from PubChem (CID 18357095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).