ethyl 2-(methylaminomethyl)-2-(trifluoromethyl)piperidine-1-carboxylate

C11H19F3N2O2 — CID 115267203

IUPACethyl 2-(methylaminomethyl)-2-(trifluoromethyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCCC1(CNC)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-3-18-9(17)16-7-5-4-6-10(16,8-15-2)11(12,13)14/h15H,3-8H2,1-2H3
InChIKeyUNWJGHALBAPIQQ-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.15
Rot. Bonds3

About ethyl 2-(methylaminomethyl)-2-(trifluoromethyl)piperidine-1-carboxylate

ethyl 2-(methylaminomethyl)-2-(trifluoromethyl)piperidine-1-carboxylate (PubChem CID 115267203) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is ethyl 2-(methylaminomethyl)-2-(trifluoromethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methylaminomethyl)-2-(trifluoromethyl)piperidine-1-carboxylate
PubChem CID115267203
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Nameethyl 2-(methylaminomethyl)-2-(trifluoromethyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCCC1(CNC)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-3-18-9(17)16-7-5-4-6-10(16,8-15-2)11(12,13)14/h15H,3-8H2,1-2H3
InChIKeyUNWJGHALBAPIQQ-UHFFFAOYSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 115267110
2-methyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 115267106
tert-butyl 2-[[(2-chloroacetyl)amino]methyl]-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 146109196
1-[2-(aminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 115270695
3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 115270808
(2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid
CID 66593969
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431021
2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid
CID 172844672
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
ethyl azacycloundecane-1-carboxylate
CID 67670496
(1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate
CID 158772757
1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 115267025

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylaminomethyl)-2-(trifluoromethyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 2-(methylaminomethyl)-2-(trifluoromethyl)piperidine-1-carboxylate (CID 115267203) is ethyl 2-(methylaminomethyl)-2-(trifluoromethyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 2-(methylaminomethyl)-2-(trifluoromethyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 2-(methylaminomethyl)-2-(trifluoromethyl)piperidine-1-carboxylate is CCOC(=O)N1CCCCC1(CNC)C(F)(F)F.
What is the InChIKey of ethyl 2-(methylaminomethyl)-2-(trifluoromethyl)piperidine-1-carboxylate?
The InChIKey is UNWJGHALBAPIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-3-18-9(17)16-7-5-4-6-10(16,8-15-2)11(12,13)14/h15H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(methylaminomethyl)-2-(trifluoromethyl)piperidine-1-carboxylate?
ethyl 2-(methylaminomethyl)-2-(trifluoromethyl)piperidine-1-carboxylate has a molecular weight of 268.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylaminomethyl)-2-(trifluoromethyl)piperidine-1-carboxylate is sourced from PubChem (CID 115267203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).