1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol

C11H16N4O3 — CID 80931571

IUPAC1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol
SMILESNNc1cc(N2CCC(O)CC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O3/c12-13-8-5-9(7-10(6-8)15(17)18)14-3-1-11(16)2-4-14/h5-7,11,13,16H,1-4,12H2
InChIKeyYGSQCWWSEKSXJQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.84
Rot. Bonds3

About 1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol

1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol (PubChem CID 80931571) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol
PubChem CID80931571
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol
SMILESNNc1cc(N2CCC(O)CC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O3/c12-13-8-5-9(7-10(6-8)15(17)18)14-3-1-11(16)2-4-14/h5-7,11,13,16H,1-4,12H2
InChIKeyYGSQCWWSEKSXJQ-UHFFFAOYSA-N
XLogP0.84
TPSA104.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

1-(3-hydrazinyl-5-nitrophenyl)pyrrolidine-3,4-diol
CID 106674650
1-[3-(ethylamino)-5-nitrophenyl]piperidin-4-ol
CID 80763699
[3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine
CID 113419535
[3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine
CID 102971959
[3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine
CID 80912767
[1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol
CID 80898618
(3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol
CID 69320000
1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide
CID 80729334
[1-[3-(methylamino)-5-nitrophenyl]pyrrolidin-3-yl]methanol
CID 112629547
[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine
CID 102887930
N,N-dimethyl-1-[3-(methylamino)-5-nitrophenyl]pyrrolidin-3-amine
CID 80831522
1-(3-nitrophenyl)pyrrolidin-3-ol
CID 62917312

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol?
The IUPAC name of 1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol (CID 80931571) is 1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol.
What is the SMILES notation for 1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol?
The canonical SMILES for 1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol is NNc1cc(N2CCC(O)CC2)cc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol?
The InChIKey is YGSQCWWSEKSXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-13-8-5-9(7-10(6-8)15(17)18)14-3-1-11(16)2-4-14/h5-7,11,13,16H,1-4,12H2.
What are the key properties of 1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol?
1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol has a molecular weight of 252.27 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol is sourced from PubChem (CID 80931571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).