N-(5-ethoxy-2-nitrophenyl)-4-methylpiperazin-1-amine

C13H20N4O3 — CID 22922513

IUPACN-(5-ethoxy-2-nitrophenyl)-4-methylpiperazin-1-amine
SMILESCCOc1ccc([N+](=O)[O-])c(NN2CCN(C)CC2)c1
InChIInChI=1S/C13H20N4O3/c1-3-20-11-4-5-13(17(18)19)12(10-11)14-16-8-6-15(2)7-9-16/h4-5,10,14H,3,6-9H2,1-2H3
InChIKeyOLMDKJXSHBSGNH-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.57
Rot. Bonds5

About N-(5-ethoxy-2-nitrophenyl)-4-methylpiperazin-1-amine

N-(5-ethoxy-2-nitrophenyl)-4-methylpiperazin-1-amine (PubChem CID 22922513) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(5-ethoxy-2-nitrophenyl)-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-(5-ethoxy-2-nitrophenyl)-4-methylpiperazin-1-amine
PubChem CID22922513
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-(5-ethoxy-2-nitrophenyl)-4-methylpiperazin-1-amine
SMILESCCOc1ccc([N+](=O)[O-])c(NN2CCN(C)CC2)c1
InChIInChI=1S/C13H20N4O3/c1-3-20-11-4-5-13(17(18)19)12(10-11)14-16-8-6-15(2)7-9-16/h4-5,10,14H,3,6-9H2,1-2H3
InChIKeyOLMDKJXSHBSGNH-UHFFFAOYSA-N
XLogP1.57
TPSA70.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-methoxy-2-nitrophenyl)piperidin-1-amine
CID 83026142
N-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine
CID 60780977
N-(2,2-dimethylpropyl)-4-ethoxy-2-nitroaniline
CID 61323922
6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 140543218
4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]-2-nitroaniline
CID 62657724
N-(4-ethoxy-2-nitrophenyl)methanesulfonamide
CID 60640247
6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile
CID 103471923
4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]-2-nitroaniline
CID 60781055
2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 83034182
4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine
CID 83026355
1-(4-ethoxy-2-nitrophenyl)-2,5-dimethylpyrrole
CID 69275678
N-methyl-2-nitro-5-prop-2-enoxyaniline
CID 67485059

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-nitrophenyl)-4-methylpiperazin-1-amine?
The IUPAC name of N-(5-ethoxy-2-nitrophenyl)-4-methylpiperazin-1-amine (CID 22922513) is N-(5-ethoxy-2-nitrophenyl)-4-methylpiperazin-1-amine.
What is the SMILES notation for N-(5-ethoxy-2-nitrophenyl)-4-methylpiperazin-1-amine?
The canonical SMILES for N-(5-ethoxy-2-nitrophenyl)-4-methylpiperazin-1-amine is CCOc1ccc([N+](=O)[O-])c(NN2CCN(C)CC2)c1.
What is the InChIKey of N-(5-ethoxy-2-nitrophenyl)-4-methylpiperazin-1-amine?
The InChIKey is OLMDKJXSHBSGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-20-11-4-5-13(17(18)19)12(10-11)14-16-8-6-15(2)7-9-16/h4-5,10,14H,3,6-9H2,1-2H3.
What are the key properties of N-(5-ethoxy-2-nitrophenyl)-4-methylpiperazin-1-amine?
N-(5-ethoxy-2-nitrophenyl)-4-methylpiperazin-1-amine has a molecular weight of 280.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxy-2-nitrophenyl)-4-methylpiperazin-1-amine is sourced from PubChem (CID 22922513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).