2-[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]ethanol

C12H18FN3O — CID 113260756

IUPAC2-[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]ethanol
SMILESCc1ncnc(N2CCCCC2CCO)c1F
InChIInChI=1S/C12H18FN3O/c1-9-11(13)12(15-8-14-9)16-6-3-2-4-10(16)5-7-17/h8,10,17H,2-7H2,1H3
InChIKeyOBMADFUKEXNKLL-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.67
Rot. Bonds3

About 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]ethanol

2-[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]ethanol (PubChem CID 113260756) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]ethanol
PubChem CID113260756
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]ethanol
SMILESCc1ncnc(N2CCCCC2CCO)c1F
InChIInChI=1S/C12H18FN3O/c1-9-11(13)12(15-8-14-9)16-6-3-2-4-10(16)5-7-17/h8,10,17H,2-7H2,1H3
InChIKeyOBMADFUKEXNKLL-UHFFFAOYSA-N
XLogP1.67
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]ethanol (CID 113260756) is 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]ethanol is Cc1ncnc(N2CCCCC2CCO)c1F.
What is the InChIKey of 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]ethanol?
The InChIKey is OBMADFUKEXNKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-9-11(13)12(15-8-14-9)16-6-3-2-4-10(16)5-7-17/h8,10,17H,2-7H2,1H3.
What are the key properties of 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]ethanol?
2-[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]ethanol has a molecular weight of 239.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 113260756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).