1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine

C11H14FN3O2 — CID 62673540

IUPAC1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine
SMILESCC1CNCCN1c1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C11H14FN3O2/c1-8-7-13-5-6-14(8)10-4-2-3-9(12)11(10)15(16)17/h2-4,8,13H,5-7H2,1H3
InChIKeyYOAKSJNNFUGGGN-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.53
Rot. Bonds2

About 1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine

1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine (PubChem CID 62673540) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine
PubChem CID62673540
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine
SMILESCC1CNCCN1c1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C11H14FN3O2/c1-8-7-13-5-6-14(8)10-4-2-3-9(12)11(10)15(16)17/h2-4,8,13H,5-7H2,1H3
InChIKeyYOAKSJNNFUGGGN-UHFFFAOYSA-N
XLogP1.53
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
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

(2R)-2-methyl-1-(2-nitrophenyl)piperazine
CID 54528666
(2S)-1-(2-chloro-3-fluorophenyl)-2-methylpiperazine
CID 11514137
1-(3-fluoro-2-nitrophenyl)piperazine
CID 53255788
1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine
CID 69396647
(3R)-1-(3-fluoro-2-nitrophenyl)-3-methylpiperazine
CID 104976022
1-(4-chloro-2-nitrophenyl)-2-methylpiperazine
CID 62672836
(2R)-1-(2,4-dinitrophenyl)-2-methylpiperazine
CID 94546231
(2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine
CID 66835625
[1-(3-fluoro-2-nitrophenyl)-4-methylpiperazin-2-yl]methanamine
CID 80506290
4-ethyl-5-(3-fluoro-2-nitrophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66207813
2-methyl-1-(2-methylsulfonyl-5-nitrophenyl)piperazine;dihydrochloride
CID 166174854
1-(3,5-difluoro-2-nitrophenyl)piperazine-2-carboxamide
CID 115509763

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine?
The IUPAC name of 1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine (CID 62673540) is 1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine.
What is the SMILES notation for 1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine?
The canonical SMILES for 1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine is CC1CNCCN1c1cccc(F)c1[N+](=O)[O-].
What is the InChIKey of 1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine?
The InChIKey is YOAKSJNNFUGGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-8-7-13-5-6-14(8)10-4-2-3-9(12)11(10)15(16)17/h2-4,8,13H,5-7H2,1H3.
What are the key properties of 1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine?
1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine has a molecular weight of 239.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine is sourced from PubChem (CID 62673540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).