4-(4-fluorophenyl)-1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-ol

C20H19FN4O — CID 74248880

IUPAC4-(4-fluorophenyl)-1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(c2nccc(-c3ccccn3)n2)CC1
InChIInChI=1S/C20H19FN4O/c21-16-6-4-15(5-7-16)20(26)9-13-25(14-10-20)19-23-12-8-18(24-19)17-3-1-2-11-22-17/h1-8,11-12,26H,9-10,13-14H2
InChIKeyKYYVZUHQWFSNKJ-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.17
Rot. Bonds3

About 4-(4-fluorophenyl)-1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-ol

4-(4-fluorophenyl)-1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-ol (PubChem CID 74248880) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-ol
PubChem CID74248880
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name4-(4-fluorophenyl)-1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(c2nccc(-c3ccccn3)n2)CC1
InChIInChI=1S/C20H19FN4O/c21-16-6-4-15(5-7-16)20(26)9-13-25(14-10-20)19-23-12-8-18(24-19)17-3-1-2-11-22-17/h1-8,11-12,26H,9-10,13-14H2
InChIKeyKYYVZUHQWFSNKJ-UHFFFAOYSA-N
XLogP3.17
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-ol (CID 74248880) is 4-(4-fluorophenyl)-1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-ol is OC1(c2ccc(F)cc2)CCN(c2nccc(-c3ccccn3)n2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-ol?
The InChIKey is KYYVZUHQWFSNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-16-6-4-15(5-7-16)20(26)9-13-25(14-10-20)19-23-12-8-18(24-19)17-3-1-2-11-22-17/h1-8,11-12,26H,9-10,13-14H2.
What are the key properties of 4-(4-fluorophenyl)-1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-ol?
4-(4-fluorophenyl)-1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-ol has a molecular weight of 350.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-ol is sourced from PubChem (CID 74248880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).