5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine

C14H27F3N2 — CID 64842641

IUPAC5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCCC1(C)CNC(C(C)(C)C)CN1CCC(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-6-13(5)10-18-11(12(2,3)4)9-19(13)8-7-14(15,16)17/h11,18H,6-10H2,1-5H3
InChIKeyHDFXIHOBFTUMSU-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.43
Rot. Bonds3

About 5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine

5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine (PubChem CID 64842641) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine
PubChem CID64842641
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCCC1(C)CNC(C(C)(C)C)CN1CCC(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-6-13(5)10-18-11(12(2,3)4)9-19(13)8-7-14(15,16)17/h11,18H,6-10H2,1-5H3
InChIKeyHDFXIHOBFTUMSU-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine
CID 64842828
5-tert-butyl-2-ethyl-1-(2-ethylbutyl)-2-methylpiperazine
CID 82924884
5-tert-butyl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64842838
5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine
CID 65460670
1-[(E)-but-2-enyl]-5-tert-butyl-2-ethyl-2-methylpiperazine
CID 107897969
1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine
CID 79445824
5-tert-butyl-2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 64842451
1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine
CID 64878048
2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64837904
5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine
CID 103016447
5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592078
2-ethyl-1-(2-fluoroethyl)-2-methyl-5-propylpiperazine
CID 80698159

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine (CID 64842641) is 5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine is CCC1(C)CNC(C(C)(C)C)CN1CCC(F)(F)F.
What is the InChIKey of 5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is HDFXIHOBFTUMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-6-13(5)10-18-11(12(2,3)4)9-19(13)8-7-14(15,16)17/h11,18H,6-10H2,1-5H3.
What are the key properties of 5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine?
5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 280.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 64842641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).