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

C13H24FN3O2 — CID 123439098

IUPAC5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine
SMILESNC1CNCC(F)C1OC1CCN(C2COC2)CC1
InChIInChI=1S/C13H24FN3O2/c14-11-5-16-6-12(15)13(11)19-10-1-3-17(4-2-10)9-7-18-8-9/h9-13,16H,1-8,15H2
InChIKeyINIMGMBKAYENME-UHFFFAOYSA-N
MW273.35 g/mol
LogP-0.50
Rot. Bonds3

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

5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine (PubChem CID 123439098) has the molecular formula C13H24FN3O2 and a molecular weight of 273.35 g/mol. Its IUPAC name is 5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine.

Molecular Properties

Compound Name5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine
PubChem CID123439098
Molecular FormulaC13H24FN3O2
Molecular Weight273.35 g/mol
Exact Mass273.19
IUPAC Name5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine
SMILESNC1CNCC(F)C1OC1CCN(C2COC2)CC1
InChIInChI=1S/C13H24FN3O2/c14-11-5-16-6-12(15)13(11)19-10-1-3-17(4-2-10)9-7-18-8-9/h9-13,16H,1-8,15H2
InChIKeyINIMGMBKAYENME-UHFFFAOYSA-N
XLogP-0.50
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
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]oxypiperidin-3-amine?
The IUPAC name of 5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine (CID 123439098) is 5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine.
What is the SMILES notation for 5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine?
The canonical SMILES for 5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine is NC1CNCC(F)C1OC1CCN(C2COC2)CC1.
What is the InChIKey of 5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine?
The InChIKey is INIMGMBKAYENME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN3O2/c14-11-5-16-6-12(15)13(11)19-10-1-3-17(4-2-10)9-7-18-8-9/h9-13,16H,1-8,15H2.
What are the key properties of 5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine?
5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine has a molecular weight of 273.35 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 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]oxypiperidin-3-amine is sourced from PubChem (CID 123439098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).