3-fluoro-N-(oxetan-3-yl)-1-prop-1-en-2-ylpiperidin-4-amine

C11H19FN2O — CID 178156893

IUPAC3-fluoro-N-(oxetan-3-yl)-1-prop-1-en-2-ylpiperidin-4-amine
SMILESC=C(C)N1CCC(NC2COC2)C(F)C1
InChIInChI=1S/C11H19FN2O/c1-8(2)14-4-3-11(10(12)5-14)13-9-6-15-7-9/h9-11,13H,1,3-7H2,2H3
InChIKeyKRIHBAJABNOUPU-UHFFFAOYSA-N
MW214.28 g/mol
LogP0.92
Rot. Bonds3

About 3-fluoro-N-(oxetan-3-yl)-1-prop-1-en-2-ylpiperidin-4-amine

3-fluoro-N-(oxetan-3-yl)-1-prop-1-en-2-ylpiperidin-4-amine (PubChem CID 178156893) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is 3-fluoro-N-(oxetan-3-yl)-1-prop-1-en-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name3-fluoro-N-(oxetan-3-yl)-1-prop-1-en-2-ylpiperidin-4-amine
PubChem CID178156893
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name3-fluoro-N-(oxetan-3-yl)-1-prop-1-en-2-ylpiperidin-4-amine
SMILESC=C(C)N1CCC(NC2COC2)C(F)C1
InChIInChI=1S/C11H19FN2O/c1-8(2)14-4-3-11(10(12)5-14)13-9-6-15-7-9/h9-11,13H,1,3-7H2,2H3
InChIKeyKRIHBAJABNOUPU-UHFFFAOYSA-N
XLogP0.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-(oxetan-3-yl)-1-prop-1-en-2-ylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(oxetan-3-yl)-1-prop-1-en-2-ylpiperidin-4-amine?
The IUPAC name of 3-fluoro-N-(oxetan-3-yl)-1-prop-1-en-2-ylpiperidin-4-amine (CID 178156893) is 3-fluoro-N-(oxetan-3-yl)-1-prop-1-en-2-ylpiperidin-4-amine.
What is the SMILES notation for 3-fluoro-N-(oxetan-3-yl)-1-prop-1-en-2-ylpiperidin-4-amine?
The canonical SMILES for 3-fluoro-N-(oxetan-3-yl)-1-prop-1-en-2-ylpiperidin-4-amine is C=C(C)N1CCC(NC2COC2)C(F)C1.
What is the InChIKey of 3-fluoro-N-(oxetan-3-yl)-1-prop-1-en-2-ylpiperidin-4-amine?
The InChIKey is KRIHBAJABNOUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-8(2)14-4-3-11(10(12)5-14)13-9-6-15-7-9/h9-11,13H,1,3-7H2,2H3.
What are the key properties of 3-fluoro-N-(oxetan-3-yl)-1-prop-1-en-2-ylpiperidin-4-amine?
3-fluoro-N-(oxetan-3-yl)-1-prop-1-en-2-ylpiperidin-4-amine has a molecular weight of 214.28 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(oxetan-3-yl)-1-prop-1-en-2-ylpiperidin-4-amine is sourced from PubChem (CID 178156893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).