5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyridin-3-amine

C13H18FN3O2 — CID 90205141

IUPAC5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyridin-3-amine
SMILESNc1cncc(F)c1OC1CCN(C2COC2)CC1
InChIInChI=1S/C13H18FN3O2/c14-11-5-16-6-12(15)13(11)19-10-1-3-17(4-2-10)9-7-18-8-9/h5-6,9-10H,1-4,7-8,15H2
InChIKeyZZKQLVIQAJZTLJ-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.04
Rot. Bonds3

About 5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyridin-3-amine

5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyridin-3-amine (PubChem CID 90205141) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyridin-3-amine.

Molecular Properties

Compound Name5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyridin-3-amine
PubChem CID90205141
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyridin-3-amine
SMILESNc1cncc(F)c1OC1CCN(C2COC2)CC1
InChIInChI=1S/C13H18FN3O2/c14-11-5-16-6-12(15)13(11)19-10-1-3-17(4-2-10)9-7-18-8-9/h5-6,9-10H,1-4,7-8,15H2
InChIKeyZZKQLVIQAJZTLJ-UHFFFAOYSA-N
XLogP1.04
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyridin-3-amine?
The IUPAC name of 5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyridin-3-amine (CID 90205141) is 5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyridin-3-amine.
What is the SMILES notation for 5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyridin-3-amine?
The canonical SMILES for 5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyridin-3-amine is Nc1cncc(F)c1OC1CCN(C2COC2)CC1.
What is the InChIKey of 5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyridin-3-amine?
The InChIKey is ZZKQLVIQAJZTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c14-11-5-16-6-12(15)13(11)19-10-1-3-17(4-2-10)9-7-18-8-9/h5-6,9-10H,1-4,7-8,15H2.
What are the key properties of 5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyridin-3-amine?
5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyridin-3-amine has a molecular weight of 267.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyridin-3-amine is sourced from PubChem (CID 90205141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).