1-[3-chloro-5-(trifluoromethyl)phenyl]-5-ethyl-2,5-dimethylpiperazine

C15H20ClF3N2 — CID 116700921

IUPAC1-[3-chloro-5-(trifluoromethyl)phenyl]-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(c2cc(Cl)cc(C(F)(F)F)c2)C(C)CN1
InChIInChI=1S/C15H20ClF3N2/c1-4-14(3)9-21(10(2)8-20-14)13-6-11(15(17,18)19)5-12(16)7-13/h5-7,10,20H,4,8-9H2,1-3H3
InChIKeyYRJIEYBMLSMFEH-UHFFFAOYSA-N
MW320.79 g/mol
LogP4.33
Rot. Bonds2

About 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-ethyl-2,5-dimethylpiperazine

1-[3-chloro-5-(trifluoromethyl)phenyl]-5-ethyl-2,5-dimethylpiperazine (PubChem CID 116700921) has the molecular formula C15H20ClF3N2 and a molecular weight of 320.79 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-ethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)phenyl]-5-ethyl-2,5-dimethylpiperazine
PubChem CID116700921
Molecular FormulaC15H20ClF3N2
Molecular Weight320.79 g/mol
Exact Mass320.13
IUPAC Name1-[3-chloro-5-(trifluoromethyl)phenyl]-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(c2cc(Cl)cc(C(F)(F)F)c2)C(C)CN1
InChIInChI=1S/C15H20ClF3N2/c1-4-14(3)9-21(10(2)8-20-14)13-6-11(15(17,18)19)5-12(16)7-13/h5-7,10,20H,4,8-9H2,1-3H3
InChIKeyYRJIEYBMLSMFEH-UHFFFAOYSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-ethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-ethyl-2,5-dimethylpiperazine (CID 116700921) is 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-ethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-ethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-ethyl-2,5-dimethylpiperazine is CCC1(C)CN(c2cc(Cl)cc(C(F)(F)F)c2)C(C)CN1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-ethyl-2,5-dimethylpiperazine?
The InChIKey is YRJIEYBMLSMFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2/c1-4-14(3)9-21(10(2)8-20-14)13-6-11(15(17,18)19)5-12(16)7-13/h5-7,10,20H,4,8-9H2,1-3H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-ethyl-2,5-dimethylpiperazine?
1-[3-chloro-5-(trifluoromethyl)phenyl]-5-ethyl-2,5-dimethylpiperazine has a molecular weight of 320.79 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)phenyl]-5-ethyl-2,5-dimethylpiperazine is sourced from PubChem (CID 116700921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).