1-[4-chloro-2-(trifluoromethyl)phenyl]-2,5-diethylpiperazine

C15H20ClF3N2 — CID 64933723

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-2,5-diethylpiperazine
SMILESCCC1CN(c2ccc(Cl)cc2C(F)(F)F)C(CC)CN1
InChIInChI=1S/C15H20ClF3N2/c1-3-11-9-21(12(4-2)8-20-11)14-6-5-10(16)7-13(14)15(17,18)19/h5-7,11-12,20H,3-4,8-9H2,1-2H3
InChIKeyKFUUMQCICMVASQ-UHFFFAOYSA-N
MW320.79 g/mol
LogP4.33
Rot. Bonds3

About 1-[4-chloro-2-(trifluoromethyl)phenyl]-2,5-diethylpiperazine

1-[4-chloro-2-(trifluoromethyl)phenyl]-2,5-diethylpiperazine (PubChem CID 64933723) has the molecular formula C15H20ClF3N2 and a molecular weight of 320.79 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-2,5-diethylpiperazine.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-2,5-diethylpiperazine
PubChem CID64933723
Molecular FormulaC15H20ClF3N2
Molecular Weight320.79 g/mol
Exact Mass320.13
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-2,5-diethylpiperazine
SMILESCCC1CN(c2ccc(Cl)cc2C(F)(F)F)C(CC)CN1
InChIInChI=1S/C15H20ClF3N2/c1-3-11-9-21(12(4-2)8-20-11)14-6-5-10(16)7-13(14)15(17,18)19/h5-7,11-12,20H,3-4,8-9H2,1-2H3
InChIKeyKFUUMQCICMVASQ-UHFFFAOYSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine
CID 107640027
1-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-diethylpiperazine
CID 64941210
1-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethylpiperazine
CID 64939190
1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-diethylpiperazine
CID 64934860
1-(5-chloro-2-methoxyphenyl)-2,5-diethylpiperazine
CID 64933713
2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine
CID 64930411
1-(2-chloro-4-nitrophenyl)-2,5-diethylpiperazine
CID 64979124
1-(2,5-dimethylphenyl)-2,5-diethylpiperazine
CID 64931944
2,5-diethyl-1-naphthalen-1-ylpiperazine
CID 64931957
2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide
CID 64979148
2,5-diethyl-1-(4-methyl-2-nitrophenyl)piperazine
CID 64979070
2-ethyl-1-(2-fluoro-4-methylphenyl)-5-(2-methylpropyl)piperazine
CID 64934982

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-2,5-diethylpiperazine?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-2,5-diethylpiperazine (CID 64933723) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-2,5-diethylpiperazine.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-2,5-diethylpiperazine?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-2,5-diethylpiperazine is CCC1CN(c2ccc(Cl)cc2C(F)(F)F)C(CC)CN1.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-2,5-diethylpiperazine?
The InChIKey is KFUUMQCICMVASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2/c1-3-11-9-21(12(4-2)8-20-11)14-6-5-10(16)7-13(14)15(17,18)19/h5-7,11-12,20H,3-4,8-9H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-2,5-diethylpiperazine?
1-[4-chloro-2-(trifluoromethyl)phenyl]-2,5-diethylpiperazine has a molecular weight of 320.79 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-2,5-diethylpiperazine is sourced from PubChem (CID 64933723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).