2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride

C12H16ClF3N2 — CID 69041767

IUPAC2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride
SMILESCC1CNCCN1c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C12H15F3N2.ClH/c1-9-8-16-6-7-17(9)11-4-2-10(3-5-11)12(13,14)15;/h2-5,9,16H,6-8H2,1H3;1H
InChIKeyMKOVSSQUDMAZFE-UHFFFAOYSA-N
MW280.72 g/mol
LogP2.93
Rot. Bonds1

About 2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride

2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride (PubChem CID 69041767) has the molecular formula C12H16ClF3N2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride
PubChem CID69041767
Molecular FormulaC12H16ClF3N2
Molecular Weight280.72 g/mol
Exact Mass280.10
IUPAC Name2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride
SMILESCC1CNCCN1c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C12H15F3N2.ClH/c1-9-8-16-6-7-17(9)11-4-2-10(3-5-11)12(13,14)15;/h2-5,9,16H,6-8H2,1H3;1H
InChIKeyMKOVSSQUDMAZFE-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The IUPAC name of 2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride (CID 69041767) is 2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride.
What is the SMILES notation for 2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The canonical SMILES for 2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride is CC1CNCCN1c1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of 2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The InChIKey is MKOVSSQUDMAZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2.ClH/c1-9-8-16-6-7-17(9)11-4-2-10(3-5-11)12(13,14)15;/h2-5,9,16H,6-8H2,1H3;1H.
What are the key properties of 2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride?
2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride has a molecular weight of 280.72 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride is sourced from PubChem (CID 69041767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).