(R)-[4-(2,4-difluorophenyl)-2-fluorophenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol

C22H20F3N3O — CID 24899780

IUPAC(R)-[4-(2,4-difluorophenyl)-2-fluorophenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol
SMILESO[C@@H](c1ccc(-c2ccc(F)cc2F)cc1F)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H20F3N3O/c23-16-3-5-17(20(25)13-16)15-2-4-18(19(24)12-15)21(29)14-6-10-28(11-7-14)22-26-8-1-9-27-22/h1-5,8-9,12-14,21,29H,6-7,10-11H2/t21-/m1/s1
InChIKeyFGMDQICWFPVIKI-OAQYLSRUSA-N
MW399.42 g/mol
LogP4.51
Rot. Bonds4

About (R)-[4-(2,4-difluorophenyl)-2-fluorophenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol

(R)-[4-(2,4-difluorophenyl)-2-fluorophenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol (PubChem CID 24899780) has the molecular formula C22H20F3N3O and a molecular weight of 399.42 g/mol. Its IUPAC name is (R)-[4-(2,4-difluorophenyl)-2-fluorophenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(R)-[4-(2,4-difluorophenyl)-2-fluorophenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol
PubChem CID24899780
Molecular FormulaC22H20F3N3O
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name(R)-[4-(2,4-difluorophenyl)-2-fluorophenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol
SMILESO[C@@H](c1ccc(-c2ccc(F)cc2F)cc1F)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H20F3N3O/c23-16-3-5-17(20(25)13-16)15-2-4-18(19(24)12-15)21(29)14-6-10-28(11-7-14)22-26-8-1-9-27-22/h1-5,8-9,12-14,21,29H,6-7,10-11H2/t21-/m1/s1
InChIKeyFGMDQICWFPVIKI-OAQYLSRUSA-N
XLogP4.51
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-[4-(2,4-difluorophenyl)-2-fluorophenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol?
The IUPAC name of (R)-[4-(2,4-difluorophenyl)-2-fluorophenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol (CID 24899780) is (R)-[4-(2,4-difluorophenyl)-2-fluorophenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol.
What is the SMILES notation for (R)-[4-(2,4-difluorophenyl)-2-fluorophenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol?
The canonical SMILES for (R)-[4-(2,4-difluorophenyl)-2-fluorophenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol is O[C@@H](c1ccc(-c2ccc(F)cc2F)cc1F)C1CCN(c2ncccn2)CC1.
What is the InChIKey of (R)-[4-(2,4-difluorophenyl)-2-fluorophenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol?
The InChIKey is FGMDQICWFPVIKI-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20F3N3O/c23-16-3-5-17(20(25)13-16)15-2-4-18(19(24)12-15)21(29)14-6-10-28(11-7-14)22-26-8-1-9-27-22/h1-5,8-9,12-14,21,29H,6-7,10-11H2/t21-/m1/s1.
What are the key properties of (R)-[4-(2,4-difluorophenyl)-2-fluorophenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol?
(R)-[4-(2,4-difluorophenyl)-2-fluorophenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol has a molecular weight of 399.42 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-(2,4-difluorophenyl)-2-fluorophenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol is sourced from PubChem (CID 24899780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).