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

C13H16ClF3N2 — CID 58367044

IUPAC1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-methylpiperazine
SMILESCc1cc(N2CCN(C)CC2)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2/c1-9-7-10(13(15,16)17)12(14)11(8-9)19-5-3-18(2)4-6-19/h7-8H,3-6H2,1-2H3
InChIKeyIJBYMQIWSYDSPR-UHFFFAOYSA-N
MW292.73 g/mol
LogP3.42
Rot. Bonds1

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

1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-methylpiperazine (PubChem CID 58367044) has the molecular formula C13H16ClF3N2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-methylpiperazine
PubChem CID58367044
Molecular FormulaC13H16ClF3N2
Molecular Weight292.73 g/mol
Exact Mass292.10
IUPAC Name1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-methylpiperazine
SMILESCc1cc(N2CCN(C)CC2)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2/c1-9-7-10(13(15,16)17)12(14)11(8-9)19-5-3-18(2)4-6-19/h7-8H,3-6H2,1-2H3
InChIKeyIJBYMQIWSYDSPR-UHFFFAOYSA-N
XLogP3.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 53.42
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-methylpiperazine?
The IUPAC name of 1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-methylpiperazine (CID 58367044) is 1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-methylpiperazine is Cc1cc(N2CCN(C)CC2)c(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-methylpiperazine?
The InChIKey is IJBYMQIWSYDSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2/c1-9-7-10(13(15,16)17)12(14)11(8-9)19-5-3-18(2)4-6-19/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-methylpiperazine?
1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-methylpiperazine has a molecular weight of 292.73 g/mol, XLogP of 3.42, 1 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-methylpiperazine is sourced from PubChem (CID 58367044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).