methyl 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-4-carboxylate

C11H17F3N2O3 — CID 79796870

IUPACmethyl 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-10(15,11(12,13)14)9(18)16-5-3-7(4-6-16)8(17)19-2/h7H,3-6,15H2,1-2H3
InChIKeyWYFLVDGLISGXAR-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.68
Rot. Bonds2

About methyl 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-4-carboxylate

methyl 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-4-carboxylate (PubChem CID 79796870) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is methyl 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-4-carboxylate
PubChem CID79796870
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Namemethyl 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-10(15,11(12,13)14)9(18)16-5-3-7(4-6-16)8(17)19-2/h7H,3-6,15H2,1-2H3
InChIKeyWYFLVDGLISGXAR-UHFFFAOYSA-N
XLogP0.68
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-4-carboxylate (CID 79796870) is methyl 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C(C)(N)C(F)(F)F)CC1.
What is the InChIKey of methyl 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-4-carboxylate?
The InChIKey is WYFLVDGLISGXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-10(15,11(12,13)14)9(18)16-5-3-7(4-6-16)8(17)19-2/h7H,3-6,15H2,1-2H3.
What are the key properties of methyl 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-4-carboxylate?
methyl 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-4-carboxylate has a molecular weight of 282.26 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 79796870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).