1-(4-hydroxyphenyl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one

C20H21F3N2O2 — CID 155537441

IUPAC1-(4-hydroxyphenyl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)16-3-5-17(6-4-16)25-13-11-24(12-14-25)10-9-19(27)15-1-7-18(26)8-2-15/h1-8,26H,9-14H2
InChIKeyOIARJOLWLNTRJC-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.81
Rot. Bonds5

About 1-(4-hydroxyphenyl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one

1-(4-hydroxyphenyl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one (PubChem CID 155537441) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
PubChem CID155537441
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name1-(4-hydroxyphenyl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)16-3-5-17(6-4-16)25-13-11-24(12-14-25)10-9-19(27)15-1-7-18(26)8-2-15/h1-8,26H,9-14H2
InChIKeyOIARJOLWLNTRJC-UHFFFAOYSA-N
XLogP3.81
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(4-hydroxyphenyl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one (CID 155537441) is 1-(4-hydroxyphenyl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one is O=C(CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
The InChIKey is OIARJOLWLNTRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-20(22,23)16-3-5-17(6-4-16)25-13-11-24(12-14-25)10-9-19(27)15-1-7-18(26)8-2-15/h1-8,26H,9-14H2.
What are the key properties of 1-(4-hydroxyphenyl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
1-(4-hydroxyphenyl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one has a molecular weight of 378.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 155537441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).