1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol

C11H16FN3O — CID 68985286

IUPAC1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol
SMILESCCc1cnc(N2CCC(O)C(F)C2)nc1
InChIInChI=1S/C11H16FN3O/c1-2-8-5-13-11(14-6-8)15-4-3-10(16)9(12)7-15/h5-6,9-10,16H,2-4,7H2,1H3
InChIKeyXIBRRRFDRXGGCI-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.95
Rot. Bonds2

About 1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol

1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol (PubChem CID 68985286) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol.

Molecular Properties

Compound Name1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol
PubChem CID68985286
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol
SMILESCCc1cnc(N2CCC(O)C(F)C2)nc1
InChIInChI=1S/C11H16FN3O/c1-2-8-5-13-11(14-6-8)15-4-3-10(16)9(12)7-15/h5-6,9-10,16H,2-4,7H2,1H3
InChIKeyXIBRRRFDRXGGCI-UHFFFAOYSA-N
XLogP0.95
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-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-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol?
The IUPAC name of 1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol (CID 68985286) is 1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol.
What is the SMILES notation for 1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol?
The canonical SMILES for 1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol is CCc1cnc(N2CCC(O)C(F)C2)nc1.
What is the InChIKey of 1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol?
The InChIKey is XIBRRRFDRXGGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-2-8-5-13-11(14-6-8)15-4-3-10(16)9(12)7-15/h5-6,9-10,16H,2-4,7H2,1H3.
What are the key properties of 1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol?
1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol has a molecular weight of 225.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol is sourced from PubChem (CID 68985286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).