2-[1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanol

C12H19N5O3 — CID 80928301

IUPAC2-[1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanol
SMILESNNc1ccc([N+](=O)[O-])c(N2CCCCC2CCO)n1
InChIInChI=1S/C12H19N5O3/c13-15-11-5-4-10(17(19)20)12(14-11)16-7-2-1-3-9(16)6-8-18/h4-5,9,18H,1-3,6-8,13H2,(H,14,15)
InChIKeyKQRZCMCPGHISTN-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.02
Rot. Bonds5

About 2-[1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanol

2-[1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanol (PubChem CID 80928301) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanol
PubChem CID80928301
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2-[1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanol
SMILESNNc1ccc([N+](=O)[O-])c(N2CCCCC2CCO)n1
InChIInChI=1S/C12H19N5O3/c13-15-11-5-4-10(17(19)20)12(14-11)16-7-2-1-3-9(16)6-8-18/h4-5,9,18H,1-3,6-8,13H2,(H,14,15)
InChIKeyKQRZCMCPGHISTN-UHFFFAOYSA-N
XLogP1.02
TPSA117.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.02
H-Bond Donors ≤ 53
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-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine
CID 102729208
[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 80794786
1-(6-hydrazinyl-3-nitro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 80905319
2-[1-(6-hydrazinyl-2-pyridinyl)piperidin-2-yl]ethanol
CID 80928543
[1-(6-methoxy-3-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636978
N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine
CID 81136054
6-[2-(hydroxymethyl)azepan-1-yl]-5-nitropyridine-2-carboxylic acid
CID 114404730
1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-3-ol
CID 80906785
[1-(6-amino-5-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636858
5-[2-(2-hydroxyethyl)piperidin-1-yl]-2-nitrobenzonitrile
CID 115500609
[1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol
CID 114044486
2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol
CID 80767784

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanol (CID 80928301) is 2-[1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanol is NNc1ccc([N+](=O)[O-])c(N2CCCCC2CCO)n1.
What is the InChIKey of 2-[1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanol?
The InChIKey is KQRZCMCPGHISTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c13-15-11-5-4-10(17(19)20)12(14-11)16-7-2-1-3-9(16)6-8-18/h4-5,9,18H,1-3,6-8,13H2,(H,14,15).
What are the key properties of 2-[1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanol?
2-[1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanol has a molecular weight of 281.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 80928301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).