2-[4-(5-fluoro-2-nitrosophenyl)piperazin-1-yl]ethanol

C12H16FN3O2 — CID 144797208

IUPAC2-[4-(5-fluoro-2-nitrosophenyl)piperazin-1-yl]ethanol
SMILESO=Nc1ccc(F)cc1N1CCN(CCO)CC1
InChIInChI=1S/C12H16FN3O2/c13-10-1-2-11(14-18)12(9-10)16-5-3-15(4-6-16)7-8-17/h1-2,9,17H,3-8H2
InChIKeyRGUDZZCEOQOEQX-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.34
Rot. Bonds4

About 2-[4-(5-fluoro-2-nitrosophenyl)piperazin-1-yl]ethanol

2-[4-(5-fluoro-2-nitrosophenyl)piperazin-1-yl]ethanol (PubChem CID 144797208) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-nitrosophenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-nitrosophenyl)piperazin-1-yl]ethanol
PubChem CID144797208
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name2-[4-(5-fluoro-2-nitrosophenyl)piperazin-1-yl]ethanol
SMILESO=Nc1ccc(F)cc1N1CCN(CCO)CC1
InChIInChI=1S/C12H16FN3O2/c13-10-1-2-11(14-18)12(9-10)16-5-3-15(4-6-16)7-8-17/h1-2,9,17H,3-8H2
InChIKeyRGUDZZCEOQOEQX-UHFFFAOYSA-N
XLogP1.34
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanol
CID 19837148
2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol
CID 43592142
5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide
CID 55232505
3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine
CID 82482240
2-[4-[2-(1-aminoethyl)-4-fluorophenyl]-1,4-diazepan-1-yl]ethanol
CID 107223420
2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol
CID 43592205
2-[4-(4-nitrosophenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 19099001
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol
CID 2057631
[5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol
CID 43313182
2-(2,4-difluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 43393816
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43392116
1-(2,5-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542826

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-2-nitrosophenyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(5-fluoro-2-nitrosophenyl)piperazin-1-yl]ethanol (CID 144797208) is 2-[4-(5-fluoro-2-nitrosophenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(5-fluoro-2-nitrosophenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(5-fluoro-2-nitrosophenyl)piperazin-1-yl]ethanol is O=Nc1ccc(F)cc1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(5-fluoro-2-nitrosophenyl)piperazin-1-yl]ethanol?
The InChIKey is RGUDZZCEOQOEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c13-10-1-2-11(14-18)12(9-10)16-5-3-15(4-6-16)7-8-17/h1-2,9,17H,3-8H2.
What are the key properties of 2-[4-(5-fluoro-2-nitrosophenyl)piperazin-1-yl]ethanol?
2-[4-(5-fluoro-2-nitrosophenyl)piperazin-1-yl]ethanol has a molecular weight of 253.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-2-nitrosophenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 144797208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).