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

C11H13F2N3O2 — CID 83026698

IUPACN-(2,3-difluoro-6-nitrophenyl)piperidin-1-amine
SMILESO=[N+]([O-])c1ccc(F)c(F)c1NN1CCCCC1
InChIInChI=1S/C11H13F2N3O2/c12-8-4-5-9(16(17)18)11(10(8)13)14-15-6-2-1-3-7-15/h4-5,14H,1-3,6-7H2
InChIKeyVXIZUIOREJXKED-UHFFFAOYSA-N
MW257.24 g/mol
LogP2.69
Rot. Bonds3

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

N-(2,3-difluoro-6-nitrophenyl)piperidin-1-amine (PubChem CID 83026698) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is N-(2,3-difluoro-6-nitrophenyl)piperidin-1-amine.

Molecular Properties

Compound NameN-(2,3-difluoro-6-nitrophenyl)piperidin-1-amine
PubChem CID83026698
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC NameN-(2,3-difluoro-6-nitrophenyl)piperidin-1-amine
SMILESO=[N+]([O-])c1ccc(F)c(F)c1NN1CCCCC1
InChIInChI=1S/C11H13F2N3O2/c12-8-4-5-9(16(17)18)11(10(8)13)14-15-6-2-1-3-7-15/h4-5,14H,1-3,6-7H2
InChIKeyVXIZUIOREJXKED-UHFFFAOYSA-N
XLogP2.69
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 52.69
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

N-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine
CID 83026070
2,3-difluoro-6-nitro-N-(oxolan-2-ylmethyl)aniline
CID 62533651
1-(2,3-difluoro-6-nitroanilino)cyclopentane-1-carboxylic acid
CID 62533137
2-fluoro-4-nitro-5-(piperidin-1-ylamino)benzoic acid
CID 104700116
6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine
CID 81333831
3-bromo-1,2-difluoro-4-nitrobenzene
CID 574589
N-(5-methoxy-2-nitrophenyl)piperidin-1-amine
CID 83026142
N-(2,2-dimethylbutyl)-2,3-difluoro-6-nitroaniline
CID 103462610
N-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine
CID 106891652
1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine
CID 106738349
4-(2,3-difluoro-6-nitroanilino)butan-1-ol
CID 106842471
N-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide
CID 83026041

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluoro-6-nitrophenyl)piperidin-1-amine?
The IUPAC name of N-(2,3-difluoro-6-nitrophenyl)piperidin-1-amine (CID 83026698) is N-(2,3-difluoro-6-nitrophenyl)piperidin-1-amine.
What is the SMILES notation for N-(2,3-difluoro-6-nitrophenyl)piperidin-1-amine?
The canonical SMILES for N-(2,3-difluoro-6-nitrophenyl)piperidin-1-amine is O=[N+]([O-])c1ccc(F)c(F)c1NN1CCCCC1.
What is the InChIKey of N-(2,3-difluoro-6-nitrophenyl)piperidin-1-amine?
The InChIKey is VXIZUIOREJXKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c12-8-4-5-9(16(17)18)11(10(8)13)14-15-6-2-1-3-7-15/h4-5,14H,1-3,6-7H2.
What are the key properties of N-(2,3-difluoro-6-nitrophenyl)piperidin-1-amine?
N-(2,3-difluoro-6-nitrophenyl)piperidin-1-amine has a molecular weight of 257.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluoro-6-nitrophenyl)piperidin-1-amine is sourced from PubChem (CID 83026698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).