5-(4-fluorophenyl)-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one

C15H16FN3O2 — CID 79432590

IUPAC5-(4-fluorophenyl)-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCNCC2)nc(O)c1-c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2/c16-11-3-1-9(2-4-11)12-14(20)18-13(19-15(12)21)10-5-7-17-8-6-10/h1-4,10,17H,5-8H2,(H2,18,19,20,21)
InChIKeyIXXUWGCTYRVPLL-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.75
Rot. Bonds2

About 5-(4-fluorophenyl)-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one

5-(4-fluorophenyl)-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one (PubChem CID 79432590) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one
PubChem CID79432590
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name5-(4-fluorophenyl)-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCNCC2)nc(O)c1-c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2/c16-11-3-1-9(2-4-11)12-14(20)18-13(19-15(12)21)10-5-7-17-8-6-10/h1-4,10,17H,5-8H2,(H2,18,19,20,21)
InChIKeyIXXUWGCTYRVPLL-UHFFFAOYSA-N
XLogP1.75
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-fluorophenyl)-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one (CID 79432590) is 5-(4-fluorophenyl)-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one is O=c1[nH]c(C2CCNCC2)nc(O)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one?
The InChIKey is IXXUWGCTYRVPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-11-3-1-9(2-4-11)12-14(20)18-13(19-15(12)21)10-5-7-17-8-6-10/h1-4,10,17H,5-8H2,(H2,18,19,20,21).
What are the key properties of 5-(4-fluorophenyl)-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one?
5-(4-fluorophenyl)-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one has a molecular weight of 289.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 79432590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).