2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone

C12H13F3N2O2 — CID 62491643

IUPAC2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESO=C(N1CCN(c2ccccc2O)CC1)C(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)11(19)17-7-5-16(6-8-17)9-3-1-2-4-10(9)18/h1-4,18H,5-8H2
InChIKeyMZYDPDCJFQHATQ-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.60
Rot. Bonds1

About 2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone (PubChem CID 62491643) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
PubChem CID62491643
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESO=C(N1CCN(c2ccccc2O)CC1)C(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)11(19)17-7-5-16(6-8-17)9-3-1-2-4-10(9)18/h1-4,18H,5-8H2
InChIKeyMZYDPDCJFQHATQ-UHFFFAOYSA-N
XLogP1.60
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
CID 65173274
2-bromo-6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]benzaldehyde
CID 168870112
3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868649
2,2,2-trifluoro-1-[11-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4,8-bis(2,2,2-trifluoroacetyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanone
CID 25140451
2,2,2-trifluoro-1-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110344243
4-(2-hydroxyphenyl)-N,N-diphenylpiperazine-1-carboxamide
CID 14302847
2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54592434
1-[4-(2-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-piperidin-1-ylpropane-1,3-dione
CID 108958783
1-[4-(4-amino-2-methylphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 82533841
N-cyclopropyl-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 47127245
1-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
CID 75382325
(2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 78802706

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone (CID 62491643) is 2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone is O=C(N1CCN(c2ccccc2O)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is MZYDPDCJFQHATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)11(19)17-7-5-16(6-8-17)9-3-1-2-4-10(9)18/h1-4,18H,5-8H2.
What are the key properties of 2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 274.24 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 62491643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).