4-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol

C17H20FN3O2 — CID 3228710

IUPAC4-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
SMILESCOc1cc(C)nc(N2CCC(O)(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H20FN3O2/c1-12-11-15(23-2)20-16(19-12)21-9-7-17(22,8-10-21)13-3-5-14(18)6-4-13/h3-6,11,22H,7-10H2,1-2H3
InChIKeyPUQBHIMMDFHPBC-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.42
Rot. Bonds3

About 4-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol

4-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol (PubChem CID 3228710) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
PubChem CID3228710
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name4-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
SMILESCOc1cc(C)nc(N2CCC(O)(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H20FN3O2/c1-12-11-15(23-2)20-16(19-12)21-9-7-17(22,8-10-21)13-3-5-14(18)6-4-13/h3-6,11,22H,7-10H2,1-2H3
InChIKeyPUQBHIMMDFHPBC-UHFFFAOYSA-N
XLogP2.42
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.42
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-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol (CID 3228710) is 4-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol is COc1cc(C)nc(N2CCC(O)(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol?
The InChIKey is PUQBHIMMDFHPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-12-11-15(23-2)20-16(19-12)21-9-7-17(22,8-10-21)13-3-5-14(18)6-4-13/h3-6,11,22H,7-10H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol?
4-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol has a molecular weight of 317.36 g/mol, XLogP of 2.42, 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-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol is sourced from PubChem (CID 3228710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).