3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

C14H20F3N3O2 — CID 126943478

IUPAC3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESCOCCN1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1
InChIInChI=1S/C14H20F3N3O2/c1-22-7-6-19-4-2-11(3-5-19)9-20-10-18-12(8-13(20)21)14(15,16)17/h8,10-11H,2-7,9H2,1H3
InChIKeyUGTLXTYDRGTYTR-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.62
Rot. Bonds5

About 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 126943478) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID126943478
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESCOCCN1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1
InChIInChI=1S/C14H20F3N3O2/c1-22-7-6-19-4-2-11(3-5-19)9-20-10-18-12(8-13(20)21)14(15,16)17/h8,10-11H,2-7,9H2,1H3
InChIKeyUGTLXTYDRGTYTR-UHFFFAOYSA-N
XLogP1.62
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (CID 126943478) is 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is COCCN1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1.
What is the InChIKey of 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is UGTLXTYDRGTYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-22-7-6-19-4-2-11(3-5-19)9-20-10-18-12(8-13(20)21)14(15,16)17/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 319.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 126943478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).