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

C15H28FN3O2 — CID 130279917

IUPAC1-ethyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine
SMILESCCN1CC(N)C(OC2CCN(C3COC3)CC2)C(F)C1
InChIInChI=1S/C15H28FN3O2/c1-2-18-7-13(16)15(14(17)8-18)21-12-3-5-19(6-4-12)11-9-20-10-11/h11-15H,2-10,17H2,1H3
InChIKeyXHXYDTYAPUWLMO-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.24
Rot. Bonds4

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

1-ethyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine (PubChem CID 130279917) has the molecular formula C15H28FN3O2 and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine
PubChem CID130279917
Molecular FormulaC15H28FN3O2
Molecular Weight301.41 g/mol
Exact Mass301.22
IUPAC Name1-ethyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine
SMILESCCN1CC(N)C(OC2CCN(C3COC3)CC2)C(F)C1
InChIInChI=1S/C15H28FN3O2/c1-2-18-7-13(16)15(14(17)8-18)21-12-3-5-19(6-4-12)11-9-20-10-11/h11-15H,2-10,17H2,1H3
InChIKeyXHXYDTYAPUWLMO-UHFFFAOYSA-N
XLogP0.24
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine?
The IUPAC name of 1-ethyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine (CID 130279917) is 1-ethyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine.
What is the SMILES notation for 1-ethyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine?
The canonical SMILES for 1-ethyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine is CCN1CC(N)C(OC2CCN(C3COC3)CC2)C(F)C1.
What is the InChIKey of 1-ethyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine?
The InChIKey is XHXYDTYAPUWLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN3O2/c1-2-18-7-13(16)15(14(17)8-18)21-12-3-5-19(6-4-12)11-9-20-10-11/h11-15H,2-10,17H2,1H3.
What are the key properties of 1-ethyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine?
1-ethyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine has a molecular weight of 301.41 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine is sourced from PubChem (CID 130279917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).