2-(4-ethylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine

C12H16F3N3 — CID 71046231

IUPAC2-(4-ethylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESCCC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H16F3N3/c1-2-9-4-7-18(8-5-9)11-16-6-3-10(17-11)12(13,14)15/h3,6,9H,2,4-5,7-8H2,1H3
InChIKeyZGPNPIYPDBQDLD-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.12
Rot. Bonds2

About 2-(4-ethylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine

2-(4-ethylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine (PubChem CID 71046231) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(4-ethylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
PubChem CID71046231
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name2-(4-ethylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESCCC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H16F3N3/c1-2-9-4-7-18(8-5-9)11-16-6-3-10(17-11)12(13,14)15/h3,6,9H,2,4-5,7-8H2,1H3
InChIKeyZGPNPIYPDBQDLD-UHFFFAOYSA-N
XLogP3.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(4-ethylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine (CID 71046231) is 2-(4-ethylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(4-ethylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(4-ethylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine is CCC1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-(4-ethylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is ZGPNPIYPDBQDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-2-9-4-7-18(8-5-9)11-16-6-3-10(17-11)12(13,14)15/h3,6,9H,2,4-5,7-8H2,1H3.
What are the key properties of 2-(4-ethylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine?
2-(4-ethylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine has a molecular weight of 259.27 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 71046231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).