methyl 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate

C10H17F3N2O2 — CID 83992064

IUPACmethyl 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate
SMILESCOC(=O)C1CC(NCC(F)(F)F)CN(C)C1
InChIInChI=1S/C10H17F3N2O2/c1-15-4-7(9(16)17-2)3-8(5-15)14-6-10(11,12)13/h7-8,14H,3-6H2,1-2H3
InChIKeyXWGZCHHLLUAVHA-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.63
Rot. Bonds3

About methyl 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate

methyl 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate (PubChem CID 83992064) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate
PubChem CID83992064
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Namemethyl 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate
SMILESCOC(=O)C1CC(NCC(F)(F)F)CN(C)C1
InChIInChI=1S/C10H17F3N2O2/c1-15-4-7(9(16)17-2)3-8(5-15)14-6-10(11,12)13/h7-8,14H,3-6H2,1-2H3
InChIKeyXWGZCHHLLUAVHA-UHFFFAOYSA-N
XLogP0.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate 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 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate?
The IUPAC name of methyl 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate (CID 83992064) is methyl 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate is COC(=O)C1CC(NCC(F)(F)F)CN(C)C1.
What is the InChIKey of methyl 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate?
The InChIKey is XWGZCHHLLUAVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-15-4-7(9(16)17-2)3-8(5-15)14-6-10(11,12)13/h7-8,14H,3-6H2,1-2H3.
What are the key properties of methyl 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate?
methyl 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate has a molecular weight of 254.25 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate is sourced from PubChem (CID 83992064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).