tert-butyl 2-methyl-6-(trifluoromethyl)piperazine-1-carboxylate

C11H19F3N2O2 — CID 130156653

IUPACtert-butyl 2-methyl-6-(trifluoromethyl)piperazine-1-carboxylate
SMILESCC1CNCC(C(F)(F)F)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19F3N2O2/c1-7-5-15-6-8(11(12,13)14)16(7)9(17)18-10(2,3)4/h7-8,15H,5-6H2,1-4H3
InChIKeyXOROIFJTNIVCTC-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.15
Rot. Bonds

About tert-butyl 2-methyl-6-(trifluoromethyl)piperazine-1-carboxylate

tert-butyl 2-methyl-6-(trifluoromethyl)piperazine-1-carboxylate (PubChem CID 130156653) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is tert-butyl 2-methyl-6-(trifluoromethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-6-(trifluoromethyl)piperazine-1-carboxylate
PubChem CID130156653
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Nametert-butyl 2-methyl-6-(trifluoromethyl)piperazine-1-carboxylate
SMILESCC1CNCC(C(F)(F)F)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19F3N2O2/c1-7-5-15-6-8(11(12,13)14)16(7)9(17)18-10(2,3)4/h7-8,15H,5-6H2,1-4H3
InChIKeyXOROIFJTNIVCTC-UHFFFAOYSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
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

tert-butyl (2S,6R)-2-ethynyl-6-methylpiperazine-1-carboxylate
CID 138461253
tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;hydrochloride
CID 71721058
tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;oxalic acid
CID 175718664
tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026
tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate
CID 67823358
tert-butyl 2,4,6,8-tetramethyl-5-oxoazocane-1-carboxylate
CID 123266281
tert-butyl (9aR)-6-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine-2-carboxylate
CID 155708042
tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 6558904
tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate
CID 90048538
ditert-butyl 3,6,7-triazabicyclo[3.2.1]octane-6,7-dicarboxylate
CID 168886053
tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
CID 11745988
tert-butyl (1R)-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate
CID 118214329

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-6-(trifluoromethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-6-(trifluoromethyl)piperazine-1-carboxylate (CID 130156653) is tert-butyl 2-methyl-6-(trifluoromethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-6-(trifluoromethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-6-(trifluoromethyl)piperazine-1-carboxylate is CC1CNCC(C(F)(F)F)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-6-(trifluoromethyl)piperazine-1-carboxylate?
The InChIKey is XOROIFJTNIVCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-7-5-15-6-8(11(12,13)14)16(7)9(17)18-10(2,3)4/h7-8,15H,5-6H2,1-4H3.
What are the key properties of tert-butyl 2-methyl-6-(trifluoromethyl)piperazine-1-carboxylate?
tert-butyl 2-methyl-6-(trifluoromethyl)piperazine-1-carboxylate has a molecular weight of 268.28 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-6-(trifluoromethyl)piperazine-1-carboxylate is sourced from PubChem (CID 130156653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).