3-(2,2-difluoroethoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one

C11H20F2N2O2 — CID 103205291

IUPAC3-(2,2-difluoroethoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCCN(C(=O)CCOCC(F)F)C1
InChIInChI=1S/C11H20F2N2O2/c1-14-9-3-2-5-15(7-9)11(16)4-6-17-8-10(12)13/h9-10,14H,2-8H2,1H3
InChIKeyUIWXBMGQKWKVJZ-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.87
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one

3-(2,2-difluoroethoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one (PubChem CID 103205291) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
PubChem CID103205291
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name3-(2,2-difluoroethoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCCN(C(=O)CCOCC(F)F)C1
InChIInChI=1S/C11H20F2N2O2/c1-14-9-3-2-5-15(7-9)11(16)4-6-17-8-10(12)13/h9-10,14H,2-8H2,1H3
InChIKeyUIWXBMGQKWKVJZ-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one (CID 103205291) is 3-(2,2-difluoroethoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one is CNC1CCCN(C(=O)CCOCC(F)F)C1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
The InChIKey is UIWXBMGQKWKVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-14-9-3-2-5-15(7-9)11(16)4-6-17-8-10(12)13/h9-10,14H,2-8H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
3-(2,2-difluoroethoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one has a molecular weight of 250.29 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 103205291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).