2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine

C14H19F3N2 — CID 64845157

IUPAC2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCC1CN(CC(F)(F)F)C(C)(c2ccccc2)CN1
InChIInChI=1S/C14H19F3N2/c1-11-8-19(10-14(15,16)17)13(2,9-18-11)12-6-4-3-5-7-12/h3-7,11,18H,8-10H2,1-2H3
InChIKeyJGDYOXYQYZBQBC-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.76
Rot. Bonds2

About 2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine

2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 64845157) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID64845157
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCC1CN(CC(F)(F)F)C(C)(c2ccccc2)CN1
InChIInChI=1S/C14H19F3N2/c1-11-8-19(10-14(15,16)17)13(2,9-18-11)12-6-4-3-5-7-12/h3-7,11,18H,8-10H2,1-2H3
InChIKeyJGDYOXYQYZBQBC-UHFFFAOYSA-N
XLogP2.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine (CID 64845157) is 2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine is CC1CN(CC(F)(F)F)C(C)(c2ccccc2)CN1.
What is the InChIKey of 2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is JGDYOXYQYZBQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-11-8-19(10-14(15,16)17)13(2,9-18-11)12-6-4-3-5-7-12/h3-7,11,18H,8-10H2,1-2H3.
What are the key properties of 2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine?
2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 272.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 64845157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).