2,2,2-trifluoroethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate

C13H15F3N2O3 — CID 65173274

IUPAC2,2,2-trifluoroethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)9-21-12(20)18-7-5-17(6-8-18)10-3-1-2-4-11(10)19/h1-4,19H,5-9H2
InChIKeyXRTYBMWBJKLREQ-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.21
Rot. Bonds2

About 2,2,2-trifluoroethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate

2,2,2-trifluoroethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate (PubChem CID 65173274) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
PubChem CID65173274
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name2,2,2-trifluoroethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)9-21-12(20)18-7-5-17(6-8-18)10-3-1-2-4-11(10)19/h1-4,19H,5-9H2
InChIKeyXRTYBMWBJKLREQ-UHFFFAOYSA-N
XLogP2.21
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
CID 19034142
2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 62491643
2,2,2-trifluoroethyl azepane-1-carboxylate
CID 65168312
3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868649
2,2,2-trifluoroethyl 4-acetyl-1,4-diazepane-1-carboxylate
CID 65173403
2,2,2-trifluoroethyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 47085107
2,2,2-trichloroethyl 4-phenylpiperazine-1-carboxylate
CID 101452211
2-amino-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 60936651
2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one
CID 54868660
2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 63373740
(2S)-2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75494290
2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 79843787

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate (CID 65173274) is 2,2,2-trifluoroethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate is O=C(OCC(F)(F)F)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate?
The InChIKey is XRTYBMWBJKLREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)9-21-12(20)18-7-5-17(6-8-18)10-3-1-2-4-11(10)19/h1-4,19H,5-9H2.
What are the key properties of 2,2,2-trifluoroethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate?
2,2,2-trifluoroethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate has a molecular weight of 304.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 65173274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).