1-(5-azido-2,4-dinitrophenyl)piperidine

C11H12N6O4 — CID 169326393

IUPAC1-(5-azido-2,4-dinitrophenyl)piperidine
SMILES[N-]=[N+]=Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H12N6O4/c12-14-13-8-6-10(15-4-2-1-3-5-15)11(17(20)21)7-9(8)16(18)19/h6-7H,1-5H2
InChIKeyBTGAGYZZZVRWSK-UHFFFAOYSA-N
MW292.25 g/mol
LogP3.44
Rot. Bonds4

About 1-(5-azido-2,4-dinitrophenyl)piperidine

1-(5-azido-2,4-dinitrophenyl)piperidine (PubChem CID 169326393) has the molecular formula C11H12N6O4 and a molecular weight of 292.25 g/mol. Its IUPAC name is 1-(5-azido-2,4-dinitrophenyl)piperidine.

Molecular Properties

Compound Name1-(5-azido-2,4-dinitrophenyl)piperidine
PubChem CID169326393
Molecular FormulaC11H12N6O4
Molecular Weight292.25 g/mol
Exact Mass292.09
IUPAC Name1-(5-azido-2,4-dinitrophenyl)piperidine
SMILES[N-]=[N+]=Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H12N6O4/c12-14-13-8-6-10(15-4-2-1-3-5-15)11(17(20)21)7-9(8)16(18)19/h6-7H,1-5H2
InChIKeyBTGAGYZZZVRWSK-UHFFFAOYSA-N
XLogP3.44
TPSA138.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-azido-4-methyl-2-nitrophenyl)-4-methylpiperazine
CID 169325480
4-(5-azido-4-methyl-2-nitrophenyl)morpholine
CID 150718881
2,4-dinitro-5-piperidin-1-ylaniline
CID 17352651
2-chloro-N'-(2,4-dinitro-5-piperidin-1-ylphenyl)ethanimidamide
CID 169369027
1-(5-chloro-2,4-dinitrophenyl)azepane
CID 2842391
1-(2,4-dinitrophenyl)azepane
CID 2731658
4-azido-5-nitrobenzene-1,2-dicarbonitrile
CID 152630324
1-(2,4-dinitrophenyl)azocane
CID 9311675
2-fluoro-5-nitro-4-pyrrolidin-1-ylbenzaldehyde
CID 118226277
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

Frequently Asked Questions

What is the IUPAC name of 1-(5-azido-2,4-dinitrophenyl)piperidine?
The IUPAC name of 1-(5-azido-2,4-dinitrophenyl)piperidine (CID 169326393) is 1-(5-azido-2,4-dinitrophenyl)piperidine.
What is the SMILES notation for 1-(5-azido-2,4-dinitrophenyl)piperidine?
The canonical SMILES for 1-(5-azido-2,4-dinitrophenyl)piperidine is [N-]=[N+]=Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 1-(5-azido-2,4-dinitrophenyl)piperidine?
The InChIKey is BTGAGYZZZVRWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O4/c12-14-13-8-6-10(15-4-2-1-3-5-15)11(17(20)21)7-9(8)16(18)19/h6-7H,1-5H2.
What are the key properties of 1-(5-azido-2,4-dinitrophenyl)piperidine?
1-(5-azido-2,4-dinitrophenyl)piperidine has a molecular weight of 292.25 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azido-2,4-dinitrophenyl)piperidine is sourced from PubChem (CID 169326393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).