[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol

C17H27FN4O2 — CID 72916904

IUPAC[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCOCCC1(CO)CCCN(c2ncc(F)c(N3CCCC3)n2)C1
InChIInChI=1S/C17H27FN4O2/c1-24-10-6-17(13-23)5-4-9-22(12-17)16-19-11-14(18)15(20-16)21-7-2-3-8-21/h11,23H,2-10,12-13H2,1H3
InChIKeySKAJHZDGPLLQCO-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.83
Rot. Bonds6

About [1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol

[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol (PubChem CID 72916904) has the molecular formula C17H27FN4O2 and a molecular weight of 338.43 g/mol. Its IUPAC name is [1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
PubChem CID72916904
Molecular FormulaC17H27FN4O2
Molecular Weight338.43 g/mol
Exact Mass338.21
IUPAC Name[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCOCCC1(CO)CCCN(c2ncc(F)c(N3CCCC3)n2)C1
InChIInChI=1S/C17H27FN4O2/c1-24-10-6-17(13-23)5-4-9-22(12-17)16-19-11-14(18)15(20-16)21-7-2-3-8-21/h11,23H,2-10,12-13H2,1H3
InChIKeySKAJHZDGPLLQCO-UHFFFAOYSA-N
XLogP1.83
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol (CID 72916904) is [1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol is COCCC1(CO)CCCN(c2ncc(F)c(N3CCCC3)n2)C1.
What is the InChIKey of [1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The InChIKey is SKAJHZDGPLLQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN4O2/c1-24-10-6-17(13-23)5-4-9-22(12-17)16-19-11-14(18)15(20-16)21-7-2-3-8-21/h11,23H,2-10,12-13H2,1H3.
What are the key properties of [1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol has a molecular weight of 338.43 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 72916904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).