2,4-dinitro-5-piperidin-1-ylaniline

C11H14N4O4 — CID 17352651

IUPAC2,4-dinitro-5-piperidin-1-ylaniline
SMILESNc1cc(N2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O4/c12-8-6-10(13-4-2-1-3-5-13)11(15(18)19)7-9(8)14(16)17/h6-7H,1-5,12H2
InChIKeyZPSOJOFPFHVPBV-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.08
Rot. Bonds3

About 2,4-dinitro-5-piperidin-1-ylaniline

2,4-dinitro-5-piperidin-1-ylaniline (PubChem CID 17352651) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2,4-dinitro-5-piperidin-1-ylaniline.

Molecular Properties

Compound Name2,4-dinitro-5-piperidin-1-ylaniline
PubChem CID17352651
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name2,4-dinitro-5-piperidin-1-ylaniline
SMILESNc1cc(N2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O4/c12-8-6-10(13-4-2-1-3-5-13)11(15(18)19)7-9(8)14(16)17/h6-7H,1-5,12H2
InChIKeyZPSOJOFPFHVPBV-UHFFFAOYSA-N
XLogP2.08
TPSA115.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,4-dinitro-5-piperidin-1-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2,4-dinitrophenyl)azepane
CID 2842391
1-(2,4-dinitrophenyl)azepane
CID 2731658
1-(2,4-dinitrophenyl)azocane
CID 9311675
1-(5-azido-2,4-dinitrophenyl)piperidine
CID 169326393
2-chloro-N'-(2,4-dinitro-5-piperidin-1-ylphenyl)ethanimidamide
CID 169369027
1-(6-nitro-1,3-benzodioxol-5-yl)pyrrolidine
CID 39732315
1-(4-chloro-2-nitrophenyl)piperidine
CID 160686778
1-(4,5-dimethoxy-2-nitrophenyl)pyrrolidine
CID 616606
2-(2,4-dinitro-5-piperidin-1-ylanilino)ethanol
CID 2842390
1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine
CID 139034981
4-(2,4-dinitro-5-thiomorpholin-4-ylphenyl)thiomorpholine
CID 3114929
4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine
CID 2872322

Frequently Asked Questions

What is the IUPAC name of 2,4-dinitro-5-piperidin-1-ylaniline?
The IUPAC name of 2,4-dinitro-5-piperidin-1-ylaniline (CID 17352651) is 2,4-dinitro-5-piperidin-1-ylaniline.
What is the SMILES notation for 2,4-dinitro-5-piperidin-1-ylaniline?
The canonical SMILES for 2,4-dinitro-5-piperidin-1-ylaniline is Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2,4-dinitro-5-piperidin-1-ylaniline?
The InChIKey is ZPSOJOFPFHVPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c12-8-6-10(13-4-2-1-3-5-13)11(15(18)19)7-9(8)14(16)17/h6-7H,1-5,12H2.
What are the key properties of 2,4-dinitro-5-piperidin-1-ylaniline?
2,4-dinitro-5-piperidin-1-ylaniline has a molecular weight of 266.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinitro-5-piperidin-1-ylaniline is sourced from PubChem (CID 17352651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).