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

C16H23F3N2 — CID 64931968

IUPAC2,5-diethyl-5-methyl-1-[4-(trifluoromethyl)phenyl]piperazine
SMILESCCC1CNC(C)(CC)CN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H23F3N2/c1-4-13-10-20-15(3,5-2)11-21(13)14-8-6-12(7-9-14)16(17,18)19/h6-9,13,20H,4-5,10-11H2,1-3H3
InChIKeyZGKCVMQHEVNSHM-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.06
Rot. Bonds3

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

2,5-diethyl-5-methyl-1-[4-(trifluoromethyl)phenyl]piperazine (PubChem CID 64931968) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2,5-diethyl-5-methyl-1-[4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name2,5-diethyl-5-methyl-1-[4-(trifluoromethyl)phenyl]piperazine
PubChem CID64931968
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name2,5-diethyl-5-methyl-1-[4-(trifluoromethyl)phenyl]piperazine
SMILESCCC1CNC(C)(CC)CN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H23F3N2/c1-4-13-10-20-15(3,5-2)11-21(13)14-8-6-12(7-9-14)16(17,18)19/h6-9,13,20H,4-5,10-11H2,1-3H3
InChIKeyZGKCVMQHEVNSHM-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine
CID 64930171
2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine
CID 66355426
2,5-diethyl-1-(2-fluorophenyl)-5-methylpiperazine
CID 64932869
1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine
CID 107579892
6-(2,5-diethyl-5-methylpiperazin-1-yl)quinoline
CID 64941343
2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
CID 64931265
2-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylpiperazine
CID 64935550
1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64933561
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine
CID 64941408
1-[3-chloro-5-(trifluoromethyl)phenyl]-5-ethyl-2,5-dimethylpiperazine
CID 116700921
1-(2,5-dibromophenyl)-2,5-diethyl-5-methylpiperazine
CID 64933819
1-(2,5-dichlorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64935058

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-5-methyl-1-[4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 2,5-diethyl-5-methyl-1-[4-(trifluoromethyl)phenyl]piperazine (CID 64931968) is 2,5-diethyl-5-methyl-1-[4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 2,5-diethyl-5-methyl-1-[4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 2,5-diethyl-5-methyl-1-[4-(trifluoromethyl)phenyl]piperazine is CCC1CNC(C)(CC)CN1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,5-diethyl-5-methyl-1-[4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is ZGKCVMQHEVNSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-4-13-10-20-15(3,5-2)11-21(13)14-8-6-12(7-9-14)16(17,18)19/h6-9,13,20H,4-5,10-11H2,1-3H3.
What are the key properties of 2,5-diethyl-5-methyl-1-[4-(trifluoromethyl)phenyl]piperazine?
2,5-diethyl-5-methyl-1-[4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 300.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-5-methyl-1-[4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 64931968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).