tert-butyl 2-hydroxy-3-oxo-2-(trifluoromethyl)piperazine-1-carboxylate

C10H15F3N2O4 — CID 167723682

IUPACtert-butyl 2-hydroxy-3-oxo-2-(trifluoromethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(=O)C1(O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-8(2,3)19-7(17)15-5-4-14-6(16)9(15,18)10(11,12)13/h18H,4-5H2,1-3H3,(H,14,16)
InChIKeyUQCJUCAULMXNOL-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.60
Rot. Bonds

About tert-butyl 2-hydroxy-3-oxo-2-(trifluoromethyl)piperazine-1-carboxylate

tert-butyl 2-hydroxy-3-oxo-2-(trifluoromethyl)piperazine-1-carboxylate (PubChem CID 167723682) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is tert-butyl 2-hydroxy-3-oxo-2-(trifluoromethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-hydroxy-3-oxo-2-(trifluoromethyl)piperazine-1-carboxylate
PubChem CID167723682
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Nametert-butyl 2-hydroxy-3-oxo-2-(trifluoromethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(=O)C1(O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-8(2,3)19-7(17)15-5-4-14-6(16)9(15,18)10(11,12)13/h18H,4-5H2,1-3H3,(H,14,16)
InChIKeyUQCJUCAULMXNOL-UHFFFAOYSA-N
XLogP0.60
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate
CID 67979785
tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate
CID 139383963
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
tert-butyl 2,2-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71607196
tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate
CID 130765018
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 45074355
tert-butyl 3-oxopiperazine-1-carboxylate;pyrazine
CID 158092707
tert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate
CID 170907562
tert-butyl 1,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 155894383
tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate
CID 141188760

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-hydroxy-3-oxo-2-(trifluoromethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-hydroxy-3-oxo-2-(trifluoromethyl)piperazine-1-carboxylate (CID 167723682) is tert-butyl 2-hydroxy-3-oxo-2-(trifluoromethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-hydroxy-3-oxo-2-(trifluoromethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-hydroxy-3-oxo-2-(trifluoromethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNC(=O)C1(O)C(F)(F)F.
What is the InChIKey of tert-butyl 2-hydroxy-3-oxo-2-(trifluoromethyl)piperazine-1-carboxylate?
The InChIKey is UQCJUCAULMXNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-8(2,3)19-7(17)15-5-4-14-6(16)9(15,18)10(11,12)13/h18H,4-5H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl 2-hydroxy-3-oxo-2-(trifluoromethyl)piperazine-1-carboxylate?
tert-butyl 2-hydroxy-3-oxo-2-(trifluoromethyl)piperazine-1-carboxylate has a molecular weight of 284.23 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-hydroxy-3-oxo-2-(trifluoromethyl)piperazine-1-carboxylate is sourced from PubChem (CID 167723682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).