1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol

C22H20F3N3O2 — CID 11553437

IUPAC1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(-c3ccccc3)nc(-c3ccc(OC(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)30-18-8-6-16(7-9-18)21-26-19(15-4-2-1-3-5-15)14-20(27-21)28-12-10-17(29)11-13-28/h1-9,14,17,29H,10-13H2
InChIKeyCEQSEGNQZIOBBN-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.67
Rot. Bonds4

About 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol

1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 11553437) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol
PubChem CID11553437
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(-c3ccccc3)nc(-c3ccc(OC(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)30-18-8-6-16(7-9-18)21-26-19(15-4-2-1-3-5-15)14-20(27-21)28-12-10-17(29)11-13-28/h1-9,14,17,29H,10-13H2
InChIKeyCEQSEGNQZIOBBN-UHFFFAOYSA-N
XLogP4.67
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol 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 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol (CID 11553437) is 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol is OC1CCN(c2cc(-c3ccccc3)nc(-c3ccc(OC(F)(F)F)cc3)n2)CC1.
What is the InChIKey of 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is CEQSEGNQZIOBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c23-22(24,25)30-18-8-6-16(7-9-18)21-26-19(15-4-2-1-3-5-15)14-20(27-21)28-12-10-17(29)11-13-28/h1-9,14,17,29H,10-13H2.
What are the key properties of 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol?
1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 415.42 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 11553437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).