1-ethyl-5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine

C13H26FN3O — CID 130280166

IUPAC1-ethyl-5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine
SMILESCCN1CC(N)C(OC2CCN(C)CC2)C(F)C1
InChIInChI=1S/C13H26FN3O/c1-3-17-8-11(14)13(12(15)9-17)18-10-4-6-16(2)7-5-10/h10-13H,3-9,15H2,1-2H3
InChIKeyLADDVNGCODPRLJ-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.47
Rot. Bonds3

About 1-ethyl-5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine

1-ethyl-5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine (PubChem CID 130280166) has the molecular formula C13H26FN3O and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine
PubChem CID130280166
Molecular FormulaC13H26FN3O
Molecular Weight259.37 g/mol
Exact Mass259.21
IUPAC Name1-ethyl-5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine
SMILESCCN1CC(N)C(OC2CCN(C)CC2)C(F)C1
InChIInChI=1S/C13H26FN3O/c1-3-17-8-11(14)13(12(15)9-17)18-10-4-6-16(2)7-5-10/h10-13H,3-9,15H2,1-2H3
InChIKeyLADDVNGCODPRLJ-UHFFFAOYSA-N
XLogP0.47
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine?
The IUPAC name of 1-ethyl-5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine (CID 130280166) is 1-ethyl-5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine.
What is the SMILES notation for 1-ethyl-5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine?
The canonical SMILES for 1-ethyl-5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine is CCN1CC(N)C(OC2CCN(C)CC2)C(F)C1.
What is the InChIKey of 1-ethyl-5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine?
The InChIKey is LADDVNGCODPRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN3O/c1-3-17-8-11(14)13(12(15)9-17)18-10-4-6-16(2)7-5-10/h10-13H,3-9,15H2,1-2H3.
What are the key properties of 1-ethyl-5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine?
1-ethyl-5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine has a molecular weight of 259.37 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine is sourced from PubChem (CID 130280166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).