1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride

C14H19ClF4N2 — CID 120905856

IUPAC1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride
SMILESCC1CN(Cc2cc(F)cc(C(F)(F)F)c2)C(C)CN1.Cl
InChIInChI=1S/C14H18F4N2.ClH/c1-9-7-20(10(2)6-19-9)8-11-3-12(14(16,17)18)5-13(15)4-11;/h3-5,9-10,19H,6-8H2,1-2H3;1H
InChIKeyHJVBMHYGBKHHMN-UHFFFAOYSA-N
MW326.77 g/mol
LogP3.45
Rot. Bonds2

About 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride

1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride (PubChem CID 120905856) has the molecular formula C14H19ClF4N2 and a molecular weight of 326.77 g/mol. Its IUPAC name is 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride
PubChem CID120905856
Molecular FormulaC14H19ClF4N2
Molecular Weight326.77 g/mol
Exact Mass326.12
IUPAC Name1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride
SMILESCC1CN(Cc2cc(F)cc(C(F)(F)F)c2)C(C)CN1.Cl
InChIInChI=1S/C14H18F4N2.ClH/c1-9-7-20(10(2)6-19-9)8-11-3-12(14(16,17)18)5-13(15)4-11;/h3-5,9-10,19H,6-8H2,1-2H3;1H
InChIKeyHJVBMHYGBKHHMN-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride?
The IUPAC name of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride (CID 120905856) is 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride.
What is the SMILES notation for 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride?
The canonical SMILES for 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride is CC1CN(Cc2cc(F)cc(C(F)(F)F)c2)C(C)CN1.Cl.
What is the InChIKey of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride?
The InChIKey is HJVBMHYGBKHHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2.ClH/c1-9-7-20(10(2)6-19-9)8-11-3-12(14(16,17)18)5-13(15)4-11;/h3-5,9-10,19H,6-8H2,1-2H3;1H.
What are the key properties of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride?
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride has a molecular weight of 326.77 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride is sourced from PubChem (CID 120905856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).