4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine

C10H12F3N3O — CID 11623349

IUPAC4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(OC2CCNCC2)ncn1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-5-9(16-6-15-8)17-7-1-3-14-4-2-7/h5-7,14H,1-4H2
InChIKeyMNHFKHSICJHKBU-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.63
Rot. Bonds2

About 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine

4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine (PubChem CID 11623349) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine
PubChem CID11623349
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(OC2CCNCC2)ncn1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-5-9(16-6-15-8)17-7-1-3-14-4-2-7/h5-7,14H,1-4H2
InChIKeyMNHFKHSICJHKBU-UHFFFAOYSA-N
XLogP1.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine (CID 11623349) is 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(OC2CCNCC2)ncn1.
What is the InChIKey of 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine?
The InChIKey is MNHFKHSICJHKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)8-5-9(16-6-15-8)17-7-1-3-14-4-2-7/h5-7,14H,1-4H2.
What are the key properties of 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine?
4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine has a molecular weight of 247.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 11623349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).