[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C18H17F3N2O2 — CID 9078946

IUPAC[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)14-5-3-4-13(12-14)17(25)23-10-8-22(9-11-23)15-6-1-2-7-16(15)24/h1-7,12,24H,8-11H2
InChIKeyDLWJJSHXAQKMSG-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.37
Rot. Bonds2

About [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 9078946) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID9078946
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)14-5-3-4-13(12-14)17(25)23-10-8-22(9-11-23)15-6-1-2-7-16(15)24/h1-7,12,24H,8-11H2
InChIKeyDLWJJSHXAQKMSG-UHFFFAOYSA-N
XLogP3.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 9078946) is [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is DLWJJSHXAQKMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-18(20,21)14-5-3-4-13(12-14)17(25)23-10-8-22(9-11-23)15-6-1-2-7-16(15)24/h1-7,12,24H,8-11H2.
What are the key properties of [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 350.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 9078946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).