5-ethyl-2-[4-ethyl-3-(trifluoromethyl)piperidin-1-yl]pyrimidine

C14H20F3N3 — CID 173105093

IUPAC5-ethyl-2-[4-ethyl-3-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCCc1cnc(N2CCC(CC)C(C(F)(F)F)C2)nc1
InChIInChI=1S/C14H20F3N3/c1-3-10-7-18-13(19-8-10)20-6-5-11(4-2)12(9-20)14(15,16)17/h7-8,11-12H,3-6,9H2,1-2H3
InChIKeyNXOHRYGPUWIEND-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.45
Rot. Bonds3

About 5-ethyl-2-[4-ethyl-3-(trifluoromethyl)piperidin-1-yl]pyrimidine

5-ethyl-2-[4-ethyl-3-(trifluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 173105093) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 5-ethyl-2-[4-ethyl-3-(trifluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-[4-ethyl-3-(trifluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID173105093
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name5-ethyl-2-[4-ethyl-3-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCCc1cnc(N2CCC(CC)C(C(F)(F)F)C2)nc1
InChIInChI=1S/C14H20F3N3/c1-3-10-7-18-13(19-8-10)20-6-5-11(4-2)12(9-20)14(15,16)17/h7-8,11-12H,3-6,9H2,1-2H3
InChIKeyNXOHRYGPUWIEND-UHFFFAOYSA-N
XLogP3.45
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-2-[4-ethyl-3-(trifluoromethyl)piperidin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-ethyl-3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-ethyl-2-[4-ethyl-3-(trifluoromethyl)piperidin-1-yl]pyrimidine (CID 173105093) is 5-ethyl-2-[4-ethyl-3-(trifluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-ethyl-2-[4-ethyl-3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-ethyl-2-[4-ethyl-3-(trifluoromethyl)piperidin-1-yl]pyrimidine is CCc1cnc(N2CCC(CC)C(C(F)(F)F)C2)nc1.
What is the InChIKey of 5-ethyl-2-[4-ethyl-3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is NXOHRYGPUWIEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-3-10-7-18-13(19-8-10)20-6-5-11(4-2)12(9-20)14(15,16)17/h7-8,11-12H,3-6,9H2,1-2H3.
What are the key properties of 5-ethyl-2-[4-ethyl-3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
5-ethyl-2-[4-ethyl-3-(trifluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 287.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-ethyl-3-(trifluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 173105093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).