4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine

C15H16F3N5O — CID 154583111

IUPAC4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(N2CCC(COc3cnccn3)CC2)ncn1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)12-7-13(22-10-21-12)23-5-1-11(2-6-23)9-24-14-8-19-3-4-20-14/h3-4,7-8,10-11H,1-2,5-6,9H2
InChIKeyVOCWFPVNAYFNMV-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.58
Rot. Bonds4

About 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine

4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine (PubChem CID 154583111) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
PubChem CID154583111
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(N2CCC(COc3cnccn3)CC2)ncn1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)12-7-13(22-10-21-12)23-5-1-11(2-6-23)9-24-14-8-19-3-4-20-14/h3-4,7-8,10-11H,1-2,5-6,9H2
InChIKeyVOCWFPVNAYFNMV-UHFFFAOYSA-N
XLogP2.58
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine (CID 154583111) is 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(N2CCC(COc3cnccn3)CC2)ncn1.
What is the InChIKey of 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is VOCWFPVNAYFNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c16-15(17,18)12-7-13(22-10-21-12)23-5-1-11(2-6-23)9-24-14-8-19-3-4-20-14/h3-4,7-8,10-11H,1-2,5-6,9H2.
What are the key properties of 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 339.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 154583111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).