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

C10H12F3N3O — CID 23133612

IUPAC2-piperidin-4-yloxy-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(OC2CCNCC2)n1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-3-6-15-9(16-8)17-7-1-4-14-5-2-7/h3,6-7,14H,1-2,4-5H2
InChIKeyNODURIKXPCDYHQ-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.63
Rot. Bonds2

About 2-piperidin-4-yloxy-4-(trifluoromethyl)pyrimidine

2-piperidin-4-yloxy-4-(trifluoromethyl)pyrimidine (PubChem CID 23133612) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-piperidin-4-yloxy-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-piperidin-4-yloxy-4-(trifluoromethyl)pyrimidine
PubChem CID23133612
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name2-piperidin-4-yloxy-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(OC2CCNCC2)n1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-3-6-15-9(16-8)17-7-1-4-14-5-2-7/h3,6-7,14H,1-2,4-5H2
InChIKeyNODURIKXPCDYHQ-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 2-piperidin-4-yloxy-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-piperidin-4-yloxy-4-(trifluoromethyl)pyrimidine (CID 23133612) is 2-piperidin-4-yloxy-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-piperidin-4-yloxy-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-piperidin-4-yloxy-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(OC2CCNCC2)n1.
What is the InChIKey of 2-piperidin-4-yloxy-4-(trifluoromethyl)pyrimidine?
The InChIKey is NODURIKXPCDYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)8-3-6-15-9(16-8)17-7-1-4-14-5-2-7/h3,6-7,14H,1-2,4-5H2.
What are the key properties of 2-piperidin-4-yloxy-4-(trifluoromethyl)pyrimidine?
2-piperidin-4-yloxy-4-(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 2-piperidin-4-yloxy-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 23133612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).