2,2,5,5-tetramethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine

C16H23F3N2 — CID 64839135

IUPAC2,2,5,5-tetramethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCC1(C)CN(Cc2ccc(C(F)(F)F)cc2)C(C)(C)CN1
InChIInChI=1S/C16H23F3N2/c1-14(2)11-21(15(3,4)10-20-14)9-12-5-7-13(8-6-12)16(17,18)19/h5-8,20H,9-11H2,1-4H3
InChIKeyZGXIOUJGMMZUIC-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.67
Rot. Bonds2

About 2,2,5,5-tetramethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine

2,2,5,5-tetramethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 64839135) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID64839135
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name2,2,5,5-tetramethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCC1(C)CN(Cc2ccc(C(F)(F)F)cc2)C(C)(C)CN1
InChIInChI=1S/C16H23F3N2/c1-14(2)11-21(15(3,4)10-20-14)9-12-5-7-13(8-6-12)16(17,18)19/h5-8,20H,9-11H2,1-4H3
InChIKeyZGXIOUJGMMZUIC-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 2,2,5,5-tetramethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine (CID 64839135) is 2,2,5,5-tetramethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 2,2,5,5-tetramethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 2,2,5,5-tetramethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine is CC1(C)CN(Cc2ccc(C(F)(F)F)cc2)C(C)(C)CN1.
What is the InChIKey of 2,2,5,5-tetramethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is ZGXIOUJGMMZUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-14(2)11-21(15(3,4)10-20-14)9-12-5-7-13(8-6-12)16(17,18)19/h5-8,20H,9-11H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
2,2,5,5-tetramethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 300.37 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 64839135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).