1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropan-1-ol

C15H23FN2O2 — CID 102789640

IUPAC1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropan-1-ol
SMILESCC(CN1CCC(C)C1CO)C(O)c1ccc(F)cn1
InChIInChI=1S/C15H23FN2O2/c1-10-5-6-18(14(10)9-19)8-11(2)15(20)13-4-3-12(16)7-17-13/h3-4,7,10-11,14-15,19-20H,5-6,8-9H2,1-2H3
InChIKeyRWPYIXCHAXMURU-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.59
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropan-1-ol

1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropan-1-ol (PubChem CID 102789640) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropan-1-ol
PubChem CID102789640
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropan-1-ol
SMILESCC(CN1CCC(C)C1CO)C(O)c1ccc(F)cn1
InChIInChI=1S/C15H23FN2O2/c1-10-5-6-18(14(10)9-19)8-11(2)15(20)13-4-3-12(16)7-17-13/h3-4,7,10-11,14-15,19-20H,5-6,8-9H2,1-2H3
InChIKeyRWPYIXCHAXMURU-UHFFFAOYSA-N
XLogP1.59
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropan-1-ol (CID 102789640) is 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropan-1-ol is CC(CN1CCC(C)C1CO)C(O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropan-1-ol?
The InChIKey is RWPYIXCHAXMURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10-5-6-18(14(10)9-19)8-11(2)15(20)13-4-3-12(16)7-17-13/h3-4,7,10-11,14-15,19-20H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropan-1-ol?
1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropan-1-ol has a molecular weight of 282.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 102789640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).