4-(2,4-dinitrophenyl)piperidine

C11H13N3O4 — CID 15925829

IUPAC4-(2,4-dinitrophenyl)piperidine
SMILESO=[N+]([O-])c1ccc(C2CCNCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13N3O4/c15-13(16)9-1-2-10(11(7-9)14(17)18)8-3-5-12-6-4-8/h1-2,7-8,12H,3-6H2
InChIKeyNZFXVQUVZFBRKL-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.97
Rot. Bonds3

About 4-(2,4-dinitrophenyl)piperidine

4-(2,4-dinitrophenyl)piperidine (PubChem CID 15925829) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 4-(2,4-dinitrophenyl)piperidine.

Molecular Properties

Compound Name4-(2,4-dinitrophenyl)piperidine
PubChem CID15925829
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name4-(2,4-dinitrophenyl)piperidine
SMILESO=[N+]([O-])c1ccc(C2CCNCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13N3O4/c15-13(16)9-1-2-10(11(7-9)14(17)18)8-3-5-12-6-4-8/h1-2,7-8,12H,3-6H2
InChIKeyNZFXVQUVZFBRKL-UHFFFAOYSA-N
XLogP1.97
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.97
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

4-[2-nitro-4-(trifluoromethyl)phenyl]piperidine
CID 154828530
4-(2,4-dinitrophenoxy)piperidine
CID 62342248
2-(2,4-dinitrophenyl)azepane
CID 57177004
4-chloro-1-cyclopropyl-2-nitrobenzene
CID 130133348
(3S)-3-(2-nitrophenyl)pyrrolidine
CID 95436908
7-(2,4-dinitrophenyl)azepan-2-one
CID 121009002
5-nitro-2-piperidin-4-yl-1,3-benzothiazole
CID 142902771
2-(2,4-dinitrophenyl)-5,5-dimethyl-1,3-dioxane
CID 125483526
4-(3-fluoro-4-nitrophenyl)piperidine
CID 83403967
ethyl formate;ethyl 3-nitro-4-piperidin-4-ylbenzoate
CID 174685959
3-[(2,4-dinitrophenoxy)methyl]pyrrolidine
CID 62370512
2-cyclopropyl-4-nitrophenol
CID 58858109

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dinitrophenyl)piperidine?
The IUPAC name of 4-(2,4-dinitrophenyl)piperidine (CID 15925829) is 4-(2,4-dinitrophenyl)piperidine.
What is the SMILES notation for 4-(2,4-dinitrophenyl)piperidine?
The canonical SMILES for 4-(2,4-dinitrophenyl)piperidine is O=[N+]([O-])c1ccc(C2CCNCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2,4-dinitrophenyl)piperidine?
The InChIKey is NZFXVQUVZFBRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-13(16)9-1-2-10(11(7-9)14(17)18)8-3-5-12-6-4-8/h1-2,7-8,12H,3-6H2.
What are the key properties of 4-(2,4-dinitrophenyl)piperidine?
4-(2,4-dinitrophenyl)piperidine has a molecular weight of 251.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dinitrophenyl)piperidine is sourced from PubChem (CID 15925829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).