4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine

C17H17F4N3 — CID 3235676

IUPAC4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCC1CCN(c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H17F4N3/c1-11-6-8-24(9-7-11)16-22-14(10-15(23-16)17(19,20)21)12-2-4-13(18)5-3-12/h2-5,10-11H,6-9H2,1H3
InChIKeyJWXDAUCRRAYRDS-UHFFFAOYSA-N
MW339.34 g/mol
LogP4.54
Rot. Bonds2

About 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine

4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 3235676) has the molecular formula C17H17F4N3 and a molecular weight of 339.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID3235676
Molecular FormulaC17H17F4N3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCC1CCN(c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H17F4N3/c1-11-6-8-24(9-7-11)16-22-14(10-15(23-16)17(19,20)21)12-2-4-13(18)5-3-12/h2-5,10-11H,6-9H2,1H3
InChIKeyJWXDAUCRRAYRDS-UHFFFAOYSA-N
XLogP4.54
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine (CID 3235676) is 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine is CC1CCN(c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is JWXDAUCRRAYRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3/c1-11-6-8-24(9-7-11)16-22-14(10-15(23-16)17(19,20)21)12-2-4-13(18)5-3-12/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 339.34 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 3235676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).