tert-butyl 2,5-dimethyl-4-[2-(2,2,2-trifluoroethoxy)propanoyl]piperazine-1-carboxylate

C16H27F3N2O4 — CID 75441383

IUPACtert-butyl 2,5-dimethyl-4-[2-(2,2,2-trifluoroethoxy)propanoyl]piperazine-1-carboxylate
SMILESCC(OCC(F)(F)F)C(=O)N1CC(C)N(C(=O)OC(C)(C)C)CC1C
InChIInChI=1S/C16H27F3N2O4/c1-10-8-21(14(23)25-15(4,5)6)11(2)7-20(10)13(22)12(3)24-9-16(17,18)19/h10-12H,7-9H2,1-6H3
InChIKeyYODTUWMGMNVOBK-UHFFFAOYSA-N
MW368.40 g/mol
LogP2.81
Rot. Bonds3

About tert-butyl 2,5-dimethyl-4-[2-(2,2,2-trifluoroethoxy)propanoyl]piperazine-1-carboxylate

tert-butyl 2,5-dimethyl-4-[2-(2,2,2-trifluoroethoxy)propanoyl]piperazine-1-carboxylate (PubChem CID 75441383) has the molecular formula C16H27F3N2O4 and a molecular weight of 368.40 g/mol. Its IUPAC name is tert-butyl 2,5-dimethyl-4-[2-(2,2,2-trifluoroethoxy)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,5-dimethyl-4-[2-(2,2,2-trifluoroethoxy)propanoyl]piperazine-1-carboxylate
PubChem CID75441383
Molecular FormulaC16H27F3N2O4
Molecular Weight368.40 g/mol
Exact Mass368.19
IUPAC Nametert-butyl 2,5-dimethyl-4-[2-(2,2,2-trifluoroethoxy)propanoyl]piperazine-1-carboxylate
SMILESCC(OCC(F)(F)F)C(=O)N1CC(C)N(C(=O)OC(C)(C)C)CC1C
InChIInChI=1S/C16H27F3N2O4/c1-10-8-21(14(23)25-15(4,5)6)11(2)7-20(10)13(22)12(3)24-9-16(17,18)19/h10-12H,7-9H2,1-6H3
InChIKeyYODTUWMGMNVOBK-UHFFFAOYSA-N
XLogP2.81
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,5-dimethyl-4-[2-(2,2,2-trifluoroethoxy)propanoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2,5-dimethyl-4-[2-(2,2,2-trifluoroethoxy)propanoyl]piperazine-1-carboxylate (CID 75441383) is tert-butyl 2,5-dimethyl-4-[2-(2,2,2-trifluoroethoxy)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,5-dimethyl-4-[2-(2,2,2-trifluoroethoxy)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2,5-dimethyl-4-[2-(2,2,2-trifluoroethoxy)propanoyl]piperazine-1-carboxylate is CC(OCC(F)(F)F)C(=O)N1CC(C)N(C(=O)OC(C)(C)C)CC1C.
What is the InChIKey of tert-butyl 2,5-dimethyl-4-[2-(2,2,2-trifluoroethoxy)propanoyl]piperazine-1-carboxylate?
The InChIKey is YODTUWMGMNVOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2O4/c1-10-8-21(14(23)25-15(4,5)6)11(2)7-20(10)13(22)12(3)24-9-16(17,18)19/h10-12H,7-9H2,1-6H3.
What are the key properties of tert-butyl 2,5-dimethyl-4-[2-(2,2,2-trifluoroethoxy)propanoyl]piperazine-1-carboxylate?
tert-butyl 2,5-dimethyl-4-[2-(2,2,2-trifluoroethoxy)propanoyl]piperazine-1-carboxylate has a molecular weight of 368.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,5-dimethyl-4-[2-(2,2,2-trifluoroethoxy)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 75441383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).