1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone

C19H19F3N2O3 — CID 2451373

IUPAC1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
SMILESO=C(COc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)14-2-1-3-17(12-14)27-13-18(26)24-10-8-23(9-11-24)15-4-6-16(25)7-5-15/h1-7,12,25H,8-11,13H2
InChIKeyQWNSATRMBUDLEJ-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.14
Rot. Bonds4

About 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone

1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone (PubChem CID 2451373) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
PubChem CID2451373
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
SMILESO=C(COc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)14-2-1-3-17(12-14)27-13-18(26)24-10-8-23(9-11-24)15-4-6-16(25)7-5-15/h1-7,12,25H,8-11,13H2
InChIKeyQWNSATRMBUDLEJ-UHFFFAOYSA-N
XLogP3.14
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-7-[4-[4-[3-(trifluoromethyl)phenyl]piperazino]butyl]-2H-1,4-benzoxazine-3(4H)-one
CID 10718277
Acetamide, N-(4-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55424
1-[(3-Methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 668306
N-(4-Benzyloxy-phenyl)-3-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-propionamide
CID 648849
2-(3-methylphenoxy)-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 16317037
4-benzyloxy-1-{4-[2-(1-piperidinyl)ethoxy]phenyl}-1H-pyridin-2-one
CID 24780883
1-{4-[2-(Pyrrolidin-1-yl)ethoxy]phenyl}-4-{[4-(trifluoromethyl)benzyl]oxy}pyridin-2(1H)-one
CID 53318593
4-(Benzyloxy)-1-{4-[2-(morpholin-4-yl)ethoxy]phenyl}-pyridin-2(1H)-one
CID 53318801
4-(Benzyloxy)-1-{4-[(1-methylpiperidin-2-yl)methoxy]-phenyl}pyridin-2(1H)-one
CID 53326457
N-(4-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethoxy)phenyl)acetamide (1d)
CID 91937736
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 798794
2-(4-Ethylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 806713

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone?
The IUPAC name of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone (CID 2451373) is 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone is O=C(COc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone?
The InChIKey is QWNSATRMBUDLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c20-19(21,22)14-2-1-3-17(12-14)27-13-18(26)24-10-8-23(9-11-24)15-4-6-16(25)7-5-15/h1-7,12,25H,8-11,13H2.
What are the key properties of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone?
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone has a molecular weight of 380.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone is sourced from PubChem (CID 2451373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).