1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-ethylpiperazine

C14H18ClF3N2 — CID 58367085

IUPAC1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-ethylpiperazine
SMILESCCN1CCN(c2cc(C)cc(C(F)(F)F)c2Cl)CC1
InChIInChI=1S/C14H18ClF3N2/c1-3-19-4-6-20(7-5-19)12-9-10(2)8-11(13(12)15)14(16,17)18/h8-9H,3-7H2,1-2H3
InChIKeyYNWDFAZFIKIVKA-UHFFFAOYSA-N
MW306.76 g/mol
LogP3.81
Rot. Bonds2

About 1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-ethylpiperazine

1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-ethylpiperazine (PubChem CID 58367085) has the molecular formula C14H18ClF3N2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-ethylpiperazine
PubChem CID58367085
Molecular FormulaC14H18ClF3N2
Molecular Weight306.76 g/mol
Exact Mass306.11
IUPAC Name1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-ethylpiperazine
SMILESCCN1CCN(c2cc(C)cc(C(F)(F)F)c2Cl)CC1
InChIInChI=1S/C14H18ClF3N2/c1-3-19-4-6-20(7-5-19)12-9-10(2)8-11(13(12)15)14(16,17)18/h8-9H,3-7H2,1-2H3
InChIKeyYNWDFAZFIKIVKA-UHFFFAOYSA-N
XLogP3.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-ethylpiperazine?
The IUPAC name of 1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-ethylpiperazine (CID 58367085) is 1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-ethylpiperazine?
The canonical SMILES for 1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-ethylpiperazine is CCN1CCN(c2cc(C)cc(C(F)(F)F)c2Cl)CC1.
What is the InChIKey of 1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-ethylpiperazine?
The InChIKey is YNWDFAZFIKIVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2/c1-3-19-4-6-20(7-5-19)12-9-10(2)8-11(13(12)15)14(16,17)18/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-ethylpiperazine?
1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-ethylpiperazine has a molecular weight of 306.76 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-ethylpiperazine is sourced from PubChem (CID 58367085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).