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

C13H24F2N2O2 — CID 83993323

IUPACmethyl 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetate
SMILESCCCC1CC(NCC(F)F)CN(CC(=O)OC)C1
InChIInChI=1S/C13H24F2N2O2/c1-3-4-10-5-11(16-6-12(14)15)8-17(7-10)9-13(18)19-2/h10-12,16H,3-9H2,1-2H3
InChIKeyIVMZGSLUMWYJPT-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.50
Rot. Bonds7

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

methyl 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetate (PubChem CID 83993323) 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-propylpiperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetate
PubChem CID83993323
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC Namemethyl 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetate
SMILESCCCC1CC(NCC(F)F)CN(CC(=O)OC)C1
InChIInChI=1S/C13H24F2N2O2/c1-3-4-10-5-11(16-6-12(14)15)8-17(7-10)9-13(18)19-2/h10-12,16H,3-9H2,1-2H3
InChIKeyIVMZGSLUMWYJPT-UHFFFAOYSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetate 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 methyl 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetate (CID 83993323) is methyl 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetate is CCCC1CC(NCC(F)F)CN(CC(=O)OC)C1.
What is the InChIKey of methyl 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetate?
The InChIKey is IVMZGSLUMWYJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-3-4-10-5-11(16-6-12(14)15)8-17(7-10)9-13(18)19-2/h10-12,16H,3-9H2,1-2H3.
What are the key properties of methyl 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetate?
methyl 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetate has a molecular weight of 278.34 g/mol, XLogP of 1.50, 7 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-propylpiperidin-1-yl]acetate is sourced from PubChem (CID 83993323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).