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

C11H19F3N2O2 — CID 83992103

IUPACmethyl 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate
SMILESCCN1CC(NCC(F)(F)F)CC(C(=O)OC)C1
InChIInChI=1S/C11H19F3N2O2/c1-3-16-5-8(10(17)18-2)4-9(6-16)15-7-11(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyPMGUWBWCCJSXOU-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.02
Rot. Bonds4

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

methyl 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate (PubChem CID 83992103) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is methyl 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate
PubChem CID83992103
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Namemethyl 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate
SMILESCCN1CC(NCC(F)(F)F)CC(C(=O)OC)C1
InChIInChI=1S/C11H19F3N2O2/c1-3-16-5-8(10(17)18-2)4-9(6-16)15-7-11(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyPMGUWBWCCJSXOU-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate?
The IUPAC name of methyl 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate (CID 83992103) is methyl 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate is CCN1CC(NCC(F)(F)F)CC(C(=O)OC)C1.
What is the InChIKey of methyl 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate?
The InChIKey is PMGUWBWCCJSXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-3-16-5-8(10(17)18-2)4-9(6-16)15-7-11(12,13)14/h8-9,15H,3-7H2,1-2H3.
What are the key properties of methyl 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate?
methyl 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate has a molecular weight of 268.28 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate is sourced from PubChem (CID 83992103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).