(5-nitro-2-piperidin-1-ylphenyl)methylidenehydrazine

C12H16N4O2 — CID 168531238

IUPAC(5-nitro-2-piperidin-1-ylphenyl)methylidenehydrazine
SMILESNN=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1
InChIInChI=1S/C12H16N4O2/c13-14-9-10-8-11(16(17)18)4-5-12(10)15-6-2-1-3-7-15/h4-5,8-9H,1-3,6-7,13H2
InChIKeyISDRPWZRUVZGOM-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.88
Rot. Bonds3

About (5-nitro-2-piperidin-1-ylphenyl)methylidenehydrazine

(5-nitro-2-piperidin-1-ylphenyl)methylidenehydrazine (PubChem CID 168531238) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is (5-nitro-2-piperidin-1-ylphenyl)methylidenehydrazine.

Molecular Properties

Compound Name(5-nitro-2-piperidin-1-ylphenyl)methylidenehydrazine
PubChem CID168531238
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name(5-nitro-2-piperidin-1-ylphenyl)methylidenehydrazine
SMILESNN=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1
InChIInChI=1S/C12H16N4O2/c13-14-9-10-8-11(16(17)18)4-5-12(10)15-6-2-1-3-7-15/h4-5,8-9H,1-3,6-7,13H2
InChIKeyISDRPWZRUVZGOM-UHFFFAOYSA-N
XLogP1.88
TPSA84.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

2-(azetidin-1-yl)-5-nitrobenzaldehyde
CID 130156798
[(E)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]thiourea
CID 98005259
1-(5-nitro-2-pyrrolidin-1-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 23884700
[(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]thiourea
CID 3604814
N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide
CID 2824719
N,N-dimethyl-5-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]-2-piperidin-1-ylbenzenesulfonamide
CID 94849818
1-(2,4-dinitrophenyl)azepane
CID 2731658
1-(2,4-dinitrophenyl)azocane
CID 9311675
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide
CID 126013378
benzyl N'-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]carbamimidothioate
CID 168612099
1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide
CID 43083193

Frequently Asked Questions

What is the IUPAC name of (5-nitro-2-piperidin-1-ylphenyl)methylidenehydrazine?
The IUPAC name of (5-nitro-2-piperidin-1-ylphenyl)methylidenehydrazine (CID 168531238) is (5-nitro-2-piperidin-1-ylphenyl)methylidenehydrazine.
What is the SMILES notation for (5-nitro-2-piperidin-1-ylphenyl)methylidenehydrazine?
The canonical SMILES for (5-nitro-2-piperidin-1-ylphenyl)methylidenehydrazine is NN=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1.
What is the InChIKey of (5-nitro-2-piperidin-1-ylphenyl)methylidenehydrazine?
The InChIKey is ISDRPWZRUVZGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-14-9-10-8-11(16(17)18)4-5-12(10)15-6-2-1-3-7-15/h4-5,8-9H,1-3,6-7,13H2.
What are the key properties of (5-nitro-2-piperidin-1-ylphenyl)methylidenehydrazine?
(5-nitro-2-piperidin-1-ylphenyl)methylidenehydrazine has a molecular weight of 248.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitro-2-piperidin-1-ylphenyl)methylidenehydrazine is sourced from PubChem (CID 168531238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).