3-ethoxy-1-[4-(fluoroamino)piperidin-1-yl]propan-1-one

C10H19FN2O2 — CID 59335514

IUPAC3-ethoxy-1-[4-(fluoroamino)piperidin-1-yl]propan-1-one
SMILESCCOCCC(=O)N1CCC(NF)CC1
InChIInChI=1S/C10H19FN2O2/c1-2-15-8-5-10(14)13-6-3-9(12-11)4-7-13/h9,12H,2-8H2,1H3
InChIKeyWGXOLLCUIVHKCX-UHFFFAOYSA-N
MW218.27 g/mol
LogP0.88
Rot. Bonds5

About 3-ethoxy-1-[4-(fluoroamino)piperidin-1-yl]propan-1-one

3-ethoxy-1-[4-(fluoroamino)piperidin-1-yl]propan-1-one (PubChem CID 59335514) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 3-ethoxy-1-[4-(fluoroamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-ethoxy-1-[4-(fluoroamino)piperidin-1-yl]propan-1-one
PubChem CID59335514
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name3-ethoxy-1-[4-(fluoroamino)piperidin-1-yl]propan-1-one
SMILESCCOCCC(=O)N1CCC(NF)CC1
InChIInChI=1S/C10H19FN2O2/c1-2-15-8-5-10(14)13-6-3-9(12-11)4-7-13/h9,12H,2-8H2,1H3
InChIKeyWGXOLLCUIVHKCX-UHFFFAOYSA-N
XLogP0.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[4-(fluoroamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-ethoxy-1-[4-(fluoroamino)piperidin-1-yl]propan-1-one (CID 59335514) is 3-ethoxy-1-[4-(fluoroamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-ethoxy-1-[4-(fluoroamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-ethoxy-1-[4-(fluoroamino)piperidin-1-yl]propan-1-one is CCOCCC(=O)N1CCC(NF)CC1.
What is the InChIKey of 3-ethoxy-1-[4-(fluoroamino)piperidin-1-yl]propan-1-one?
The InChIKey is WGXOLLCUIVHKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-2-15-8-5-10(14)13-6-3-9(12-11)4-7-13/h9,12H,2-8H2,1H3.
What are the key properties of 3-ethoxy-1-[4-(fluoroamino)piperidin-1-yl]propan-1-one?
3-ethoxy-1-[4-(fluoroamino)piperidin-1-yl]propan-1-one has a molecular weight of 218.27 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[4-(fluoroamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 59335514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).