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

C15H21F3N2O — CID 79663724

IUPAC1-(1,4-dimethylpiperazin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCN1CCN(C)C(C(O)Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H21F3N2O/c1-19-7-8-20(2)13(10-19)14(21)9-11-3-5-12(6-4-11)15(16,17)18/h3-6,13-14,21H,7-10H2,1-2H3
InChIKeyAYGVVIWFVFRVBX-UHFFFAOYSA-N
MW302.34 g/mol
LogP1.85
Rot. Bonds3

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

1-(1,4-dimethylpiperazin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 79663724) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID79663724
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCN1CCN(C)C(C(O)Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H21F3N2O/c1-19-7-8-20(2)13(10-19)14(21)9-11-3-5-12(6-4-11)15(16,17)18/h3-6,13-14,21H,7-10H2,1-2H3
InChIKeyAYGVVIWFVFRVBX-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79658825
1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 103595739
1-(1,4-dimethylpiperazin-2-yl)-2-thiophen-3-ylethanol
CID 79659396
2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79658979
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 62607269
1-(2-methylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 107183450
1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 65410943
2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79086894
1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine
CID 79658342
2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol
CID 45213559
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 119410179
1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 103595709

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol (CID 79663724) is 1-(1,4-dimethylpiperazin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol is CN1CCN(C)C(C(O)Cc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is AYGVVIWFVFRVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-19-7-8-20(2)13(10-19)14(21)9-11-3-5-12(6-4-11)15(16,17)18/h3-6,13-14,21H,7-10H2,1-2H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
1-(1,4-dimethylpiperazin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 302.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 79663724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).