[4,4-difluoro-1-(2-methoxy-6-methylpyrimidin-4-yl)piperidin-3-yl]methanol

C12H17F2N3O2 — CID 138043478

IUPAC[4,4-difluoro-1-(2-methoxy-6-methylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCOc1nc(C)cc(N2CCC(F)(F)C(CO)C2)n1
InChIInChI=1S/C12H17F2N3O2/c1-8-5-10(16-11(15-8)19-2)17-4-3-12(13,14)9(6-17)7-18/h5,9,18H,3-4,6-7H2,1-2H3
InChIKeyTYSAAIFPKYWGGF-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.25
Rot. Bonds3

About [4,4-difluoro-1-(2-methoxy-6-methylpyrimidin-4-yl)piperidin-3-yl]methanol

[4,4-difluoro-1-(2-methoxy-6-methylpyrimidin-4-yl)piperidin-3-yl]methanol (PubChem CID 138043478) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is [4,4-difluoro-1-(2-methoxy-6-methylpyrimidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[4,4-difluoro-1-(2-methoxy-6-methylpyrimidin-4-yl)piperidin-3-yl]methanol
PubChem CID138043478
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC Name[4,4-difluoro-1-(2-methoxy-6-methylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCOc1nc(C)cc(N2CCC(F)(F)C(CO)C2)n1
InChIInChI=1S/C12H17F2N3O2/c1-8-5-10(16-11(15-8)19-2)17-4-3-12(13,14)9(6-17)7-18/h5,9,18H,3-4,6-7H2,1-2H3
InChIKeyTYSAAIFPKYWGGF-UHFFFAOYSA-N
XLogP1.25
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4,4-difluoro-1-(2-methoxy-6-methylpyrimidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [4,4-difluoro-1-(2-methoxy-6-methylpyrimidin-4-yl)piperidin-3-yl]methanol (CID 138043478) is [4,4-difluoro-1-(2-methoxy-6-methylpyrimidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [4,4-difluoro-1-(2-methoxy-6-methylpyrimidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [4,4-difluoro-1-(2-methoxy-6-methylpyrimidin-4-yl)piperidin-3-yl]methanol is COc1nc(C)cc(N2CCC(F)(F)C(CO)C2)n1.
What is the InChIKey of [4,4-difluoro-1-(2-methoxy-6-methylpyrimidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is TYSAAIFPKYWGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c1-8-5-10(16-11(15-8)19-2)17-4-3-12(13,14)9(6-17)7-18/h5,9,18H,3-4,6-7H2,1-2H3.
What are the key properties of [4,4-difluoro-1-(2-methoxy-6-methylpyrimidin-4-yl)piperidin-3-yl]methanol?
[4,4-difluoro-1-(2-methoxy-6-methylpyrimidin-4-yl)piperidin-3-yl]methanol has a molecular weight of 273.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-difluoro-1-(2-methoxy-6-methylpyrimidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 138043478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).