tert-butyl 4-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperazine-1-carboxylate

C14H23F3N2O3 — CID 165128510

IUPACtert-butyl 4-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)C(C)(C)C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O3/c1-12(2,3)22-11(21)19-8-6-18(7-9-19)10(20)13(4,5)14(15,16)17/h6-9H2,1-5H3
InChIKeyFLEUYALVFIGFMZ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.65
Rot. Bonds1

About tert-butyl 4-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperazine-1-carboxylate

tert-butyl 4-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperazine-1-carboxylate (PubChem CID 165128510) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is tert-butyl 4-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperazine-1-carboxylate
PubChem CID165128510
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC Nametert-butyl 4-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)C(C)(C)C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O3/c1-12(2,3)22-11(21)19-8-6-18(7-9-19)10(20)13(4,5)14(15,16)17/h6-9H2,1-5H3
InChIKeyFLEUYALVFIGFMZ-UHFFFAOYSA-N
XLogP2.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperazine-1-carboxylate (CID 165128510) is tert-butyl 4-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)C(C)(C)C(F)(F)F)CC1.
What is the InChIKey of tert-butyl 4-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperazine-1-carboxylate?
The InChIKey is FLEUYALVFIGFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O3/c1-12(2,3)22-11(21)19-8-6-18(7-9-19)10(20)13(4,5)14(15,16)17/h6-9H2,1-5H3.
What are the key properties of tert-butyl 4-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperazine-1-carboxylate?
tert-butyl 4-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperazine-1-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 165128510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).