2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine

C12H23F3N2 — CID 64837904

IUPAC2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCCC1(C)CNC(C(C)C)CN1CC(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-5-11(4)7-16-10(9(2)3)6-17(11)8-12(13,14)15/h9-10,16H,5-8H2,1-4H3
InChIKeyBEEUIFMEFCAUFD-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds3

About 2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine

2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 64837904) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID64837904
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCCC1(C)CNC(C(C)C)CN1CC(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-5-11(4)7-16-10(9(2)3)6-17(11)8-12(13,14)15/h9-10,16H,5-8H2,1-4H3
InChIKeyBEEUIFMEFCAUFD-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine (CID 64837904) is 2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine is CCC1(C)CNC(C(C)C)CN1CC(F)(F)F.
What is the InChIKey of 2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is BEEUIFMEFCAUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-5-11(4)7-16-10(9(2)3)6-17(11)8-12(13,14)15/h9-10,16H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine?
2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 64837904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).