N-(5-methoxy-2-nitrophenyl)-4-methylpiperidin-4-amine

C13H19N3O3 — CID 114697146

IUPACN-(5-methoxy-2-nitrophenyl)-4-methylpiperidin-4-amine
SMILESCOc1ccc([N+](=O)[O-])c(NC2(C)CCNCC2)c1
InChIInChI=1S/C13H19N3O3/c1-13(5-7-14-8-6-13)15-11-9-10(19-2)3-4-12(11)16(17)18/h3-4,9,14-15H,5-8H2,1-2H3
InChIKeyRKXYHWPVMLMCPJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.16
Rot. Bonds4

About N-(5-methoxy-2-nitrophenyl)-4-methylpiperidin-4-amine

N-(5-methoxy-2-nitrophenyl)-4-methylpiperidin-4-amine (PubChem CID 114697146) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(5-methoxy-2-nitrophenyl)-4-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(5-methoxy-2-nitrophenyl)-4-methylpiperidin-4-amine
PubChem CID114697146
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(5-methoxy-2-nitrophenyl)-4-methylpiperidin-4-amine
SMILESCOc1ccc([N+](=O)[O-])c(NC2(C)CCNCC2)c1
InChIInChI=1S/C13H19N3O3/c1-13(5-7-14-8-6-13)15-11-9-10(19-2)3-4-12(11)16(17)18/h3-4,9,14-15H,5-8H2,1-2H3
InChIKeyRKXYHWPVMLMCPJ-UHFFFAOYSA-N
XLogP2.16
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-bromo-2-nitrophenyl)-4-methylpiperidin-4-amine
CID 114696945
3-[(1-methylcyclobutyl)amino]-4-nitrobenzonitrile
CID 113485627
N-[(1-ethylcyclopropyl)methyl]-5-methoxy-2-nitroaniline
CID 103736861
3-methyl-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-3-amine
CID 107425897
3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide
CID 63139072
3-methyl-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 107425287
3-(5-methoxy-2-nitroanilino)-2,2-dimethylcyclobutan-1-ol
CID 114630159
N-(3-fluoro-2-nitrophenyl)-4-methylpiperidin-4-amine
CID 114696949
N-(5-methoxy-2-nitrophenyl)piperidin-1-amine
CID 83026142
4-methoxy-2-[(1-methylcyclopentyl)amino]benzonitrile
CID 81306794
5-methoxy-N-(4-methylphenyl)-2-nitroaniline
CID 67365056
2-(hydroxymethyl)-2-(5-methoxy-2-nitroanilino)propane-1,3-diol
CID 107849465

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-nitrophenyl)-4-methylpiperidin-4-amine?
The IUPAC name of N-(5-methoxy-2-nitrophenyl)-4-methylpiperidin-4-amine (CID 114697146) is N-(5-methoxy-2-nitrophenyl)-4-methylpiperidin-4-amine.
What is the SMILES notation for N-(5-methoxy-2-nitrophenyl)-4-methylpiperidin-4-amine?
The canonical SMILES for N-(5-methoxy-2-nitrophenyl)-4-methylpiperidin-4-amine is COc1ccc([N+](=O)[O-])c(NC2(C)CCNCC2)c1.
What is the InChIKey of N-(5-methoxy-2-nitrophenyl)-4-methylpiperidin-4-amine?
The InChIKey is RKXYHWPVMLMCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(5-7-14-8-6-13)15-11-9-10(19-2)3-4-12(11)16(17)18/h3-4,9,14-15H,5-8H2,1-2H3.
What are the key properties of N-(5-methoxy-2-nitrophenyl)-4-methylpiperidin-4-amine?
N-(5-methoxy-2-nitrophenyl)-4-methylpiperidin-4-amine has a molecular weight of 265.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-nitrophenyl)-4-methylpiperidin-4-amine is sourced from PubChem (CID 114697146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).