2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine

C15H21F3N2O — CID 64930411

IUPAC2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine
SMILESCCC1CN(c2ccccc2OC(F)(F)F)C(CC)CN1
InChIInChI=1S/C15H21F3N2O/c1-3-11-10-20(12(4-2)9-19-11)13-7-5-6-8-14(13)21-15(16,17)18/h5-8,11-12,19H,3-4,9-10H2,1-2H3
InChIKeyOKQOOUWHOSWRAA-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.55
Rot. Bonds4

About 2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine

2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine (PubChem CID 64930411) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine.

Molecular Properties

Compound Name2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine
PubChem CID64930411
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine
SMILESCCC1CN(c2ccccc2OC(F)(F)F)C(CC)CN1
InChIInChI=1S/C15H21F3N2O/c1-3-11-10-20(12(4-2)9-19-11)13-7-5-6-8-14(13)21-15(16,17)18/h5-8,11-12,19H,3-4,9-10H2,1-2H3
InChIKeyOKQOOUWHOSWRAA-UHFFFAOYSA-N
XLogP3.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-diethyl-1-naphthalen-1-ylpiperazine
CID 64931957
2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64932153
1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-diethylpiperazine
CID 64934860
1-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-diethylpiperazine
CID 64941210
2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide
CID 64979148
1-(5-chloro-2-methoxyphenyl)-2,5-diethylpiperazine
CID 64933713
1-(2,5-dimethylphenyl)-2,5-diethylpiperazine
CID 64931944
2-ethyl-5-propyl-1-(2-propylphenyl)piperazine
CID 64946303
2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64945930
1-(3-chloro-2-nitrophenyl)-2,5-diethylpiperazine
CID 104839384
3-propyl-1-[2-(trifluoromethoxy)phenyl]-1,4-diazepane
CID 64943289
1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine
CID 107640027

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine?
The IUPAC name of 2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine (CID 64930411) is 2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine.
What is the SMILES notation for 2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine?
The canonical SMILES for 2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine is CCC1CN(c2ccccc2OC(F)(F)F)C(CC)CN1.
What is the InChIKey of 2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine?
The InChIKey is OKQOOUWHOSWRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-3-11-10-20(12(4-2)9-19-11)13-7-5-6-8-14(13)21-15(16,17)18/h5-8,11-12,19H,3-4,9-10H2,1-2H3.
What are the key properties of 2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine?
2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine has a molecular weight of 302.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine is sourced from PubChem (CID 64930411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).