2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine

C16H17F3N4O — CID 72918449

IUPAC2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCC(OCc3cccnc3)CC2)n1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)14-3-7-21-15(22-14)23-8-4-13(5-9-23)24-11-12-2-1-6-20-10-12/h1-3,6-7,10,13H,4-5,8-9,11H2
InChIKeyFIAFVGFWCGOFAA-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.08
Rot. Bonds4

About 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine

2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 72918449) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID72918449
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCC(OCc3cccnc3)CC2)n1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)14-3-7-21-15(22-14)23-8-4-13(5-9-23)24-11-12-2-1-6-20-10-12/h1-3,6-7,10,13H,4-5,8-9,11H2
InChIKeyFIAFVGFWCGOFAA-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 72918449) is 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(N2CCC(OCc3cccnc3)CC2)n1.
What is the InChIKey of 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is FIAFVGFWCGOFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c17-16(18,19)14-3-7-21-15(22-14)23-8-4-13(5-9-23)24-11-12-2-1-6-20-10-12/h1-3,6-7,10,13H,4-5,8-9,11H2.
What are the key properties of 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 338.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 72918449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).