2-(2,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol

C15H21F3N2O — CID 112539241

IUPAC2-(2,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCC1CN(C)CCN1C(CO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-11-9-19(2)7-8-20(11)14(10-21)12-3-5-13(6-4-12)15(16,17)18/h3-6,11,14,21H,7-10H2,1-2H3
InChIKeyASIUXVFWCADTFK-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.37
Rot. Bonds3

About 2-(2,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol

2-(2,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 112539241) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(2,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID112539241
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-(2,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCC1CN(C)CCN1C(CO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-11-9-19(2)7-8-20(11)14(10-21)12-3-5-13(6-4-12)15(16,17)18/h3-6,11,14,21H,7-10H2,1-2H3
InChIKeyASIUXVFWCADTFK-UHFFFAOYSA-N
XLogP2.37
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 112539245
2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 54775908
2-(2,4-dimethylpiperazin-1-yl)-2-pyridin-2-ylethanol
CID 112540510
2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol
CID 112539318
2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol
CID 112540464
4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol
CID 114087069
(2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine
CID 10149558
(2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride
CID 171174833
2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 64978991
1-(1,4-dimethylpiperazin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 79663724
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine
CID 176717060
(3S)-3-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 171174156

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol (CID 112539241) is 2-(2,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(2,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(2,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol is CC1CN(C)CCN1C(CO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is ASIUXVFWCADTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11-9-19(2)7-8-20(11)14(10-21)12-3-5-13(6-4-12)15(16,17)18/h3-6,11,14,21H,7-10H2,1-2H3.
What are the key properties of 2-(2,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
2-(2,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 302.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 112539241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).