(2S)-2-(5-fluoro-2-nitrophenyl)piperazine

C10H12FN3O2 — CID 171193759

IUPAC(2S)-2-(5-fluoro-2-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1ccc(F)cc1[C@H]1CNCCN1
InChIInChI=1S/C10H12FN3O2/c11-7-1-2-10(14(15)16)8(5-7)9-6-12-3-4-13-9/h1-2,5,9,12-13H,3-4,6H2/t9-/m1/s1
InChIKeyLCEVINRKNWTGGL-SECBINFHSA-N
MW225.22 g/mol
LogP0.97
Rot. Bonds2

About (2S)-2-(5-fluoro-2-nitrophenyl)piperazine

(2S)-2-(5-fluoro-2-nitrophenyl)piperazine (PubChem CID 171193759) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is (2S)-2-(5-fluoro-2-nitrophenyl)piperazine.

Molecular Properties

Compound Name(2S)-2-(5-fluoro-2-nitrophenyl)piperazine
PubChem CID171193759
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name(2S)-2-(5-fluoro-2-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1ccc(F)cc1[C@H]1CNCCN1
InChIInChI=1S/C10H12FN3O2/c11-7-1-2-10(14(15)16)8(5-7)9-6-12-3-4-13-9/h1-2,5,9,12-13H,3-4,6H2/t9-/m1/s1
InChIKeyLCEVINRKNWTGGL-SECBINFHSA-N
XLogP0.97
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(5-chloro-2-nitrophenyl)piperazine;hydrochloride
CID 171193773
(2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride
CID 171195941
(4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one
CID 171252708
(2S)-2-(2-fluoro-5-nitrophenyl)piperazine
CID 171193757
(2R)-2-(6-nitro-1,3-benzodioxol-5-yl)piperazine;hydrochloride
CID 171194477
(2R)-2-(4-methyl-3-nitrophenyl)piperazine
CID 171194425
(2S)-2-(5-chloro-2-nitrophenyl)aziridine
CID 55263842
(2S)-2-(4-fluoro-2-nitrophenyl)piperidine
CID 131395482
(2S)-2-(4-methyl-3-nitrophenyl)piperazine;hydrochloride
CID 171193790
2-(4-fluoro-2-nitrophenyl)azepane
CID 113417343
(2R)-2-(4-fluoro-2-nitrophenyl)piperidine;hydrochloride
CID 171195482
3-nitro-5-[(2R)-piperazin-2-yl]benzene-1,2-diol
CID 171194223

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-fluoro-2-nitrophenyl)piperazine?
The IUPAC name of (2S)-2-(5-fluoro-2-nitrophenyl)piperazine (CID 171193759) is (2S)-2-(5-fluoro-2-nitrophenyl)piperazine.
What is the SMILES notation for (2S)-2-(5-fluoro-2-nitrophenyl)piperazine?
The canonical SMILES for (2S)-2-(5-fluoro-2-nitrophenyl)piperazine is O=[N+]([O-])c1ccc(F)cc1[C@H]1CNCCN1.
What is the InChIKey of (2S)-2-(5-fluoro-2-nitrophenyl)piperazine?
The InChIKey is LCEVINRKNWTGGL-SECBINFHSA-N. The full InChI is InChI=1S/C10H12FN3O2/c11-7-1-2-10(14(15)16)8(5-7)9-6-12-3-4-13-9/h1-2,5,9,12-13H,3-4,6H2/t9-/m1/s1.
What are the key properties of (2S)-2-(5-fluoro-2-nitrophenyl)piperazine?
(2S)-2-(5-fluoro-2-nitrophenyl)piperazine has a molecular weight of 225.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-fluoro-2-nitrophenyl)piperazine is sourced from PubChem (CID 171193759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).