N-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine

C11H14F2N4O2 — CID 83026070

IUPACN-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine
SMILESCN1CCN(Nc2c([N+](=O)[O-])ccc(F)c2F)CC1
InChIInChI=1S/C11H14F2N4O2/c1-15-4-6-16(7-5-15)14-11-9(17(18)19)3-2-8(12)10(11)13/h2-3,14H,4-7H2,1H3
InChIKeyHJITUAVRLZBEFW-UHFFFAOYSA-N
MW272.25 g/mol
LogP1.45
Rot. Bonds3

About N-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine

N-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine (PubChem CID 83026070) has the molecular formula C11H14F2N4O2 and a molecular weight of 272.25 g/mol. Its IUPAC name is N-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine
PubChem CID83026070
Molecular FormulaC11H14F2N4O2
Molecular Weight272.25 g/mol
Exact Mass272.11
IUPAC NameN-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine
SMILESCN1CCN(Nc2c([N+](=O)[O-])ccc(F)c2F)CC1
InChIInChI=1S/C11H14F2N4O2/c1-15-4-6-16(7-5-15)14-11-9(17(18)19)3-2-8(12)10(11)13/h2-3,14H,4-7H2,1H3
InChIKeyHJITUAVRLZBEFW-UHFFFAOYSA-N
XLogP1.45
TPSA61.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 51.45
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-(2,3-difluoro-6-nitrophenyl)piperidin-1-amine
CID 83026698
4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine
CID 83026355
6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile
CID 103471923
5-fluoro-N-(4-methylpiperazin-1-yl)-2-nitrobenzamide
CID 83014030
N-(2,2-dimethylbutyl)-2,3-difluoro-6-nitroaniline
CID 103462610
N-(5-ethoxy-2-nitrophenyl)-4-methylpiperazin-1-amine
CID 22922513
2,3-difluoro-N-(3-methylsulfonylpropyl)-6-nitroaniline
CID 62532304
N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 55098004
8-fluoro-2-methyl-5-nitro-3,4-dihydro-1H-isoquinoline
CID 18687398
5-fluoro-2-methyl-8-nitro-3,4-dihydro-1H-isoquinoline
CID 141134359
N-(3-fluoro-5-nitrophenyl)-4-methylpiperazin-1-amine
CID 83025861
N-[(4-chloro-2-nitrophenyl)methyl]-4-methylpiperazin-1-amine
CID 83020819

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine?
The IUPAC name of N-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine (CID 83026070) is N-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine.
What is the SMILES notation for N-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine?
The canonical SMILES for N-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine is CN1CCN(Nc2c([N+](=O)[O-])ccc(F)c2F)CC1.
What is the InChIKey of N-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine?
The InChIKey is HJITUAVRLZBEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O2/c1-15-4-6-16(7-5-15)14-11-9(17(18)19)3-2-8(12)10(11)13/h2-3,14H,4-7H2,1H3.
What are the key properties of N-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine?
N-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine has a molecular weight of 272.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine is sourced from PubChem (CID 83026070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).