[3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine

C13H20N4O3 — CID 102971959

IUPAC[3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine
SMILESCOC1CN(c2cc(NN)cc([N+](=O)[O-])c2)CCC1C
InChIInChI=1S/C13H20N4O3/c1-9-3-4-16(8-13(9)20-2)11-5-10(15-14)6-12(7-11)17(18)19/h5-7,9,13,15H,3-4,8,14H2,1-2H3
InChIKeyYBFCHPJMGUWHRL-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.74
Rot. Bonds4

About [3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine

[3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine (PubChem CID 102971959) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is [3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine
PubChem CID102971959
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name[3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine
SMILESCOC1CN(c2cc(NN)cc([N+](=O)[O-])c2)CCC1C
InChIInChI=1S/C13H20N4O3/c1-9-3-4-16(8-13(9)20-2)11-5-10(15-14)6-12(7-11)17(18)19/h5-7,9,13,15H,3-4,8,14H2,1-2H3
InChIKeyYBFCHPJMGUWHRL-UHFFFAOYSA-N
XLogP1.74
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
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)piperidin-4-ol
CID 80931571
[3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine
CID 113419535
[3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine
CID 80912767
1-(3-hydrazinyl-5-nitrophenyl)pyrrolidine-3,4-diol
CID 106674650
2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)-4-nitropyridine
CID 102675166
3-(3-methoxy-4-methylpiperidin-1-yl)-4-nitroaniline
CID 122159827
[6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 102971973
[1-[3-(methylamino)-5-nitrophenyl]pyrrolidin-3-yl]methanol
CID 112629547
N,N-dimethyl-1-[3-(methylamino)-5-nitrophenyl]pyrrolidin-3-amine
CID 80831522
3-(3-methoxypiperidin-1-yl)-5-nitro-N-propylaniline
CID 102971672
4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrobenzoic acid
CID 102958681
1-[3-(ethylamino)-5-nitrophenyl]piperidin-4-ol
CID 80763699

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine?
The IUPAC name of [3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine (CID 102971959) is [3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine.
What is the SMILES notation for [3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine?
The canonical SMILES for [3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine is COC1CN(c2cc(NN)cc([N+](=O)[O-])c2)CCC1C.
What is the InChIKey of [3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine?
The InChIKey is YBFCHPJMGUWHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9-3-4-16(8-13(9)20-2)11-5-10(15-14)6-12(7-11)17(18)19/h5-7,9,13,15H,3-4,8,14H2,1-2H3.
What are the key properties of [3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine?
[3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine has a molecular weight of 280.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine is sourced from PubChem (CID 102971959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).