5-[[ethyl(piperidin-4-yl)amino]methyl]-3,3-difluorooxolan-2-one

C12H20F2N2O2 — CID 106492995

IUPAC5-[[ethyl(piperidin-4-yl)amino]methyl]-3,3-difluorooxolan-2-one
SMILESCCN(CC1CC(F)(F)C(=O)O1)C1CCNCC1
InChIInChI=1S/C12H20F2N2O2/c1-2-16(9-3-5-15-6-4-9)8-10-7-12(13,14)11(17)18-10/h9-10,15H,2-8H2,1H3
InChIKeyMJNJHTFOQYOMOP-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.01
Rot. Bonds4

About 5-[[ethyl(piperidin-4-yl)amino]methyl]-3,3-difluorooxolan-2-one

5-[[ethyl(piperidin-4-yl)amino]methyl]-3,3-difluorooxolan-2-one (PubChem CID 106492995) has the molecular formula C12H20F2N2O2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 5-[[ethyl(piperidin-4-yl)amino]methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[[ethyl(piperidin-4-yl)amino]methyl]-3,3-difluorooxolan-2-one
PubChem CID106492995
Molecular FormulaC12H20F2N2O2
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Name5-[[ethyl(piperidin-4-yl)amino]methyl]-3,3-difluorooxolan-2-one
SMILESCCN(CC1CC(F)(F)C(=O)O1)C1CCNCC1
InChIInChI=1S/C12H20F2N2O2/c1-2-16(9-3-5-15-6-4-9)8-10-7-12(13,14)11(17)18-10/h9-10,15H,2-8H2,1H3
InChIKeyMJNJHTFOQYOMOP-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(piperidin-4-yl)amino]methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[[ethyl(piperidin-4-yl)amino]methyl]-3,3-difluorooxolan-2-one (CID 106492995) is 5-[[ethyl(piperidin-4-yl)amino]methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[[ethyl(piperidin-4-yl)amino]methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[[ethyl(piperidin-4-yl)amino]methyl]-3,3-difluorooxolan-2-one is CCN(CC1CC(F)(F)C(=O)O1)C1CCNCC1.
What is the InChIKey of 5-[[ethyl(piperidin-4-yl)amino]methyl]-3,3-difluorooxolan-2-one?
The InChIKey is MJNJHTFOQYOMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2/c1-2-16(9-3-5-15-6-4-9)8-10-7-12(13,14)11(17)18-10/h9-10,15H,2-8H2,1H3.
What are the key properties of 5-[[ethyl(piperidin-4-yl)amino]methyl]-3,3-difluorooxolan-2-one?
5-[[ethyl(piperidin-4-yl)amino]methyl]-3,3-difluorooxolan-2-one has a molecular weight of 262.30 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(piperidin-4-yl)amino]methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106492995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).