N-(3-fluoro-5-nitrophenyl)-4-methylpiperazin-1-amine

C11H15FN4O2 — CID 83025861

IUPACN-(3-fluoro-5-nitrophenyl)-4-methylpiperazin-1-amine
SMILESCN1CCN(Nc2cc(F)cc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C11H15FN4O2/c1-14-2-4-15(5-3-14)13-10-6-9(12)7-11(8-10)16(17)18/h6-8,13H,2-5H2,1H3
InChIKeyXCUIDWQBHUCKLF-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.31
Rot. Bonds3

About N-(3-fluoro-5-nitrophenyl)-4-methylpiperazin-1-amine

N-(3-fluoro-5-nitrophenyl)-4-methylpiperazin-1-amine (PubChem CID 83025861) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(3-fluoro-5-nitrophenyl)-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-(3-fluoro-5-nitrophenyl)-4-methylpiperazin-1-amine
PubChem CID83025861
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC NameN-(3-fluoro-5-nitrophenyl)-4-methylpiperazin-1-amine
SMILESCN1CCN(Nc2cc(F)cc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C11H15FN4O2/c1-14-2-4-15(5-3-14)13-10-6-9(12)7-11(8-10)16(17)18/h6-8,13H,2-5H2,1H3
InChIKeyXCUIDWQBHUCKLF-UHFFFAOYSA-N
XLogP1.31
TPSA61.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(3-methoxy-5-nitrophenyl)-4-methylpiperazin-1-amine
CID 83026633
N-(3-methyl-5-nitrophenyl)piperidin-1-amine
CID 112649381
N-(3-fluoro-5-nitrophenyl)propanamide
CID 107335364
3-fluoro-5-nitro-N-pentan-3-ylaniline
CID 60875735
3-fluoro-N-(4-fluorophenyl)-5-nitroaniline
CID 80752071
N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine
CID 79779709
2-(3-fluoro-5-nitroanilino)-N-methylethanesulfonamide
CID 114175329
N-[(3-fluoro-5-nitrophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115980411
N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline
CID 107368860
N-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine
CID 83026070
N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide
CID 107335340
N-(3,5-dimethoxyphenyl)-3-fluoro-5-nitroaniline
CID 80752662

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-nitrophenyl)-4-methylpiperazin-1-amine?
The IUPAC name of N-(3-fluoro-5-nitrophenyl)-4-methylpiperazin-1-amine (CID 83025861) is N-(3-fluoro-5-nitrophenyl)-4-methylpiperazin-1-amine.
What is the SMILES notation for N-(3-fluoro-5-nitrophenyl)-4-methylpiperazin-1-amine?
The canonical SMILES for N-(3-fluoro-5-nitrophenyl)-4-methylpiperazin-1-amine is CN1CCN(Nc2cc(F)cc([N+](=O)[O-])c2)CC1.
What is the InChIKey of N-(3-fluoro-5-nitrophenyl)-4-methylpiperazin-1-amine?
The InChIKey is XCUIDWQBHUCKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c1-14-2-4-15(5-3-14)13-10-6-9(12)7-11(8-10)16(17)18/h6-8,13H,2-5H2,1H3.
What are the key properties of N-(3-fluoro-5-nitrophenyl)-4-methylpiperazin-1-amine?
N-(3-fluoro-5-nitrophenyl)-4-methylpiperazin-1-amine has a molecular weight of 254.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-nitrophenyl)-4-methylpiperazin-1-amine is sourced from PubChem (CID 83025861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).