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

C15H16F3N5O — CID 154583110

IUPAC2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCC(COc3cnccn3)CC2)n1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)12-1-4-21-14(22-12)23-7-2-11(3-8-23)10-24-13-9-19-5-6-20-13/h1,4-6,9,11H,2-3,7-8,10H2
InChIKeyPHHQGQIPUUALBM-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.58
Rot. Bonds4

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

2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 154583110) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID154583110
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCC(COc3cnccn3)CC2)n1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)12-1-4-21-14(22-12)23-7-2-11(3-8-23)10-24-13-9-19-5-6-20-13/h1,4-6,9,11H,2-3,7-8,10H2
InChIKeyPHHQGQIPUUALBM-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 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 154583110) is 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(N2CCC(COc3cnccn3)CC2)n1.
What is the InChIKey of 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is PHHQGQIPUUALBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c16-15(17,18)12-1-4-21-14(22-12)23-7-2-11(3-8-23)10-24-13-9-19-5-6-20-13/h1,4-6,9,11H,2-3,7-8,10H2.
What are the key properties of 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(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 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 154583110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).