(2,4-dihydroxyphenyl)-[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methanone

C17H16F3N3O3 — CID 15940963

IUPAC(2,4-dihydroxyphenyl)-[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(O)cc1O)N1CCC(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)16-21-6-3-13(22-16)10-4-7-23(8-5-10)15(26)12-2-1-11(24)9-14(12)25/h1-3,6,9-10,24-25H,4-5,7-8H2
InChIKeyDPFFZISURVKGIS-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.93
Rot. Bonds2

About (2,4-dihydroxyphenyl)-[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methanone

(2,4-dihydroxyphenyl)-[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 15940963) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID15940963
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name(2,4-dihydroxyphenyl)-[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(O)cc1O)N1CCC(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)16-21-6-3-13(22-16)10-4-7-23(8-5-10)15(26)12-2-1-11(24)9-14(12)25/h1-3,6,9-10,24-25H,4-5,7-8H2
InChIKeyDPFFZISURVKGIS-UHFFFAOYSA-N
XLogP2.93
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 15940963) is (2,4-dihydroxyphenyl)-[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methanone is O=C(c1ccc(O)cc1O)N1CCC(c2ccnc(C(F)(F)F)n2)CC1.
What is the InChIKey of (2,4-dihydroxyphenyl)-[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is DPFFZISURVKGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c18-17(19,20)16-21-6-3-13(22-16)10-4-7-23(8-5-10)15(26)12-2-1-11(24)9-14(12)25/h1-3,6,9-10,24-25H,4-5,7-8H2.
What are the key properties of (2,4-dihydroxyphenyl)-[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
(2,4-dihydroxyphenyl)-[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 367.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 15940963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).