1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol

C11H16FN3O — CID 104952904

IUPAC1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
SMILESCc1ncnc(N2CCC(O)C(C)C2)c1F
InChIInChI=1S/C11H16FN3O/c1-7-5-15(4-3-9(7)16)11-10(12)8(2)13-6-14-11/h6-7,9,16H,3-5H2,1-2H3
InChIKeyHWSCGYXTNBYVOQ-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.13
Rot. Bonds1

About 1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol

1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol (PubChem CID 104952904) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
PubChem CID104952904
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
SMILESCc1ncnc(N2CCC(O)C(C)C2)c1F
InChIInChI=1S/C11H16FN3O/c1-7-5-15(4-3-9(7)16)11-10(12)8(2)13-6-14-11/h6-7,9,16H,3-5H2,1-2H3
InChIKeyHWSCGYXTNBYVOQ-UHFFFAOYSA-N
XLogP1.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-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-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
The IUPAC name of 1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol (CID 104952904) is 1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol is Cc1ncnc(N2CCC(O)C(C)C2)c1F.
What is the InChIKey of 1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
The InChIKey is HWSCGYXTNBYVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7-5-15(4-3-9(7)16)11-10(12)8(2)13-6-14-11/h6-7,9,16H,3-5H2,1-2H3.
What are the key properties of 1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol has a molecular weight of 225.27 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 104952904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).