methyl 2-[3-(2,2-difluoroethylamino)-5-propan-2-ylpiperidin-1-yl]acetate

C13H24F2N2O2 — CID 83993325

IUPACmethyl 2-[3-(2,2-difluoroethylamino)-5-propan-2-ylpiperidin-1-yl]acetate
SMILESCOC(=O)CN1CC(NCC(F)F)CC(C(C)C)C1
InChIInChI=1S/C13H24F2N2O2/c1-9(2)10-4-11(16-5-12(14)15)7-17(6-10)8-13(18)19-3/h9-12,16H,4-8H2,1-3H3
InChIKeyMORGDMIDFISZGJ-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.36
Rot. Bonds6

About methyl 2-[3-(2,2-difluoroethylamino)-5-propan-2-ylpiperidin-1-yl]acetate

methyl 2-[3-(2,2-difluoroethylamino)-5-propan-2-ylpiperidin-1-yl]acetate (PubChem CID 83993325) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is methyl 2-[3-(2,2-difluoroethylamino)-5-propan-2-ylpiperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2,2-difluoroethylamino)-5-propan-2-ylpiperidin-1-yl]acetate
PubChem CID83993325
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC Namemethyl 2-[3-(2,2-difluoroethylamino)-5-propan-2-ylpiperidin-1-yl]acetate
SMILESCOC(=O)CN1CC(NCC(F)F)CC(C(C)C)C1
InChIInChI=1S/C13H24F2N2O2/c1-9(2)10-4-11(16-5-12(14)15)7-17(6-10)8-13(18)19-3/h9-12,16H,4-8H2,1-3H3
InChIKeyMORGDMIDFISZGJ-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2,2-difluoroethylamino)-5-propan-2-ylpiperidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(2,2-difluoroethylamino)-5-propan-2-ylpiperidin-1-yl]acetate (CID 83993325) is methyl 2-[3-(2,2-difluoroethylamino)-5-propan-2-ylpiperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(2,2-difluoroethylamino)-5-propan-2-ylpiperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(2,2-difluoroethylamino)-5-propan-2-ylpiperidin-1-yl]acetate is COC(=O)CN1CC(NCC(F)F)CC(C(C)C)C1.
What is the InChIKey of methyl 2-[3-(2,2-difluoroethylamino)-5-propan-2-ylpiperidin-1-yl]acetate?
The InChIKey is MORGDMIDFISZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-9(2)10-4-11(16-5-12(14)15)7-17(6-10)8-13(18)19-3/h9-12,16H,4-8H2,1-3H3.
What are the key properties of methyl 2-[3-(2,2-difluoroethylamino)-5-propan-2-ylpiperidin-1-yl]acetate?
methyl 2-[3-(2,2-difluoroethylamino)-5-propan-2-ylpiperidin-1-yl]acetate has a molecular weight of 278.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2,2-difluoroethylamino)-5-propan-2-ylpiperidin-1-yl]acetate is sourced from PubChem (CID 83993325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).