tert-butyl 2-[3-(2,2-difluoroethylamino)piperidin-1-yl]acetate

C13H24F2N2O2 — CID 83993335

IUPACtert-butyl 2-[3-(2,2-difluoroethylamino)piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCCC(NCC(F)F)C1
InChIInChI=1S/C13H24F2N2O2/c1-13(2,3)19-12(18)9-17-6-4-5-10(8-17)16-7-11(14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyJLGQHUOSIUWITL-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.65
Rot. Bonds5

About tert-butyl 2-[3-(2,2-difluoroethylamino)piperidin-1-yl]acetate

tert-butyl 2-[3-(2,2-difluoroethylamino)piperidin-1-yl]acetate (PubChem CID 83993335) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is tert-butyl 2-[3-(2,2-difluoroethylamino)piperidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-(2,2-difluoroethylamino)piperidin-1-yl]acetate
PubChem CID83993335
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC Nametert-butyl 2-[3-(2,2-difluoroethylamino)piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCCC(NCC(F)F)C1
InChIInChI=1S/C13H24F2N2O2/c1-13(2,3)19-12(18)9-17-6-4-5-10(8-17)16-7-11(14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyJLGQHUOSIUWITL-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(2,2-difluoroethylamino)piperidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[3-(2,2-difluoroethylamino)piperidin-1-yl]acetate (CID 83993335) is tert-butyl 2-[3-(2,2-difluoroethylamino)piperidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[3-(2,2-difluoroethylamino)piperidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[3-(2,2-difluoroethylamino)piperidin-1-yl]acetate is CC(C)(C)OC(=O)CN1CCCC(NCC(F)F)C1.
What is the InChIKey of tert-butyl 2-[3-(2,2-difluoroethylamino)piperidin-1-yl]acetate?
The InChIKey is JLGQHUOSIUWITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-13(2,3)19-12(18)9-17-6-4-5-10(8-17)16-7-11(14)15/h10-11,16H,4-9H2,1-3H3.
What are the key properties of tert-butyl 2-[3-(2,2-difluoroethylamino)piperidin-1-yl]acetate?
tert-butyl 2-[3-(2,2-difluoroethylamino)piperidin-1-yl]acetate has a molecular weight of 278.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(2,2-difluoroethylamino)piperidin-1-yl]acetate is sourced from PubChem (CID 83993335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).