2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine

C16H17F3N4O — CID 126874767

IUPAC2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine
SMILESFC(F)(F)c1cccc(OCC2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)13-3-1-4-14(22-13)24-11-12-5-9-23(10-6-12)15-20-7-2-8-21-15/h1-4,7-8,12H,5-6,9-11H2
InChIKeyVERNUAGTCAUCJC-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.19
Rot. Bonds4

About 2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine

2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine (PubChem CID 126874767) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine
PubChem CID126874767
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine
SMILESFC(F)(F)c1cccc(OCC2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)13-3-1-4-14(22-13)24-11-12-5-9-23(10-6-12)15-20-7-2-8-21-15/h1-4,7-8,12H,5-6,9-11H2
InChIKeyVERNUAGTCAUCJC-UHFFFAOYSA-N
XLogP3.19
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine (CID 126874767) is 2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine is FC(F)(F)c1cccc(OCC2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of 2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine?
The InChIKey is VERNUAGTCAUCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c17-16(18,19)13-3-1-4-14(22-13)24-11-12-5-9-23(10-6-12)15-20-7-2-8-21-15/h1-4,7-8,12H,5-6,9-11H2.
What are the key properties of 2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine?
2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine has a molecular weight of 338.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 126874767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).