[6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine

C12H19N5O3 — CID 80898026

IUPAC[6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
SMILESCCOC1CCN(c2nc(NN)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H19N5O3/c1-2-20-9-5-7-16(8-6-9)12-10(17(18)19)3-4-11(14-12)15-13/h3-4,9H,2,5-8,13H2,1H3,(H,14,15)
InChIKeyCARWWSHJUHVTIN-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.28
Rot. Bonds5

About [6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine

[6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine (PubChem CID 80898026) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is [6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
PubChem CID80898026
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name[6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
SMILESCCOC1CCN(c2nc(NN)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H19N5O3/c1-2-20-9-5-7-16(8-6-9)12-10(17(18)19)3-4-11(14-12)15-13/h3-4,9H,2,5-8,13H2,1H3,(H,14,15)
InChIKeyCARWWSHJUHVTIN-UHFFFAOYSA-N
XLogP1.28
TPSA106.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

[6-(4,4-dimethylpiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80918944
[6-(4-ethyl-4-methylpiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80913752
(5-nitro-6-thiomorpholin-4-yl-2-pyridinyl)hydrazine
CID 80932064
[6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80931680
1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-3-ol
CID 80906785
6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine
CID 80778654
4-ethoxy-1-(2-nitrophenyl)piperidine
CID 133271369
1-(6-hydrazinyl-3-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103198724
1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol
CID 80823438
N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine
CID 80844959
[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine
CID 102729208
N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine
CID 80829989

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine?
The IUPAC name of [6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine (CID 80898026) is [6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine is CCOC1CCN(c2nc(NN)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of [6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine?
The InChIKey is CARWWSHJUHVTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-2-20-9-5-7-16(8-6-9)12-10(17(18)19)3-4-11(14-12)15-13/h3-4,9H,2,5-8,13H2,1H3,(H,14,15).
What are the key properties of [6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine?
[6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine has a molecular weight of 281.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine is sourced from PubChem (CID 80898026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).