methyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate

C10H17F3N2O2 — CID 54892848

IUPACmethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
SMILESCOC(=O)C1(NCC(F)(F)F)CCN(C)CC1
InChIInChI=1S/C10H17F3N2O2/c1-15-5-3-9(4-6-15,8(16)17-2)14-7-10(11,12)13/h14H,3-7H2,1-2H3
InChIKeyANBJGRCQNLUPEG-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.78
Rot. Bonds3

About methyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate

methyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate (PubChem CID 54892848) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
PubChem CID54892848
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Namemethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
SMILESCOC(=O)C1(NCC(F)(F)F)CCN(C)CC1
InChIInChI=1S/C10H17F3N2O2/c1-15-5-3-9(4-6-15,8(16)17-2)14-7-10(11,12)13/h14H,3-7H2,1-2H3
InChIKeyANBJGRCQNLUPEG-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
The IUPAC name of methyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate (CID 54892848) is methyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate is COC(=O)C1(NCC(F)(F)F)CCN(C)CC1.
What is the InChIKey of methyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
The InChIKey is ANBJGRCQNLUPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-15-5-3-9(4-6-15,8(16)17-2)14-7-10(11,12)13/h14H,3-7H2,1-2H3.
What are the key properties of methyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
methyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate has a molecular weight of 254.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate is sourced from PubChem (CID 54892848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).