N-(5-methoxy-2-nitrophenyl)piperidin-1-amine

C12H17N3O3 — CID 83026142

IUPACN-(5-methoxy-2-nitrophenyl)piperidin-1-amine
SMILESCOc1ccc([N+](=O)[O-])c(NN2CCCCC2)c1
InChIInChI=1S/C12H17N3O3/c1-18-10-5-6-12(15(16)17)11(9-10)13-14-7-3-2-4-8-14/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyQMAITWKKDHVQHX-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.42
Rot. Bonds4

About N-(5-methoxy-2-nitrophenyl)piperidin-1-amine

N-(5-methoxy-2-nitrophenyl)piperidin-1-amine (PubChem CID 83026142) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(5-methoxy-2-nitrophenyl)piperidin-1-amine.

Molecular Properties

Compound NameN-(5-methoxy-2-nitrophenyl)piperidin-1-amine
PubChem CID83026142
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(5-methoxy-2-nitrophenyl)piperidin-1-amine
SMILESCOc1ccc([N+](=O)[O-])c(NN2CCCCC2)c1
InChIInChI=1S/C12H17N3O3/c1-18-10-5-6-12(15(16)17)11(9-10)13-14-7-3-2-4-8-14/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyQMAITWKKDHVQHX-UHFFFAOYSA-N
XLogP2.42
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
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-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide
CID 83026041
N-(5-ethoxy-2-nitrophenyl)-4-methylpiperazin-1-amine
CID 22922513
2-(hydroxymethyl)-2-(5-methoxy-2-nitroanilino)propane-1,3-diol
CID 107849465
N-[5-(4-methyl-2-nitrophenoxy)-2,4-dinitrophenyl]piperidin-1-amine
CID 24792203
5-methoxy-N-(4-methylphenyl)-2-nitroaniline
CID 67365056
5-methoxy-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 78954558
2-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949
2-fluoro-4-nitro-5-(piperidin-1-ylamino)benzoic acid
CID 104700116
N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline
CID 79034338
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
2-(azepan-1-yl)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 46630887
N-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine
CID 114504788

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-nitrophenyl)piperidin-1-amine?
The IUPAC name of N-(5-methoxy-2-nitrophenyl)piperidin-1-amine (CID 83026142) is N-(5-methoxy-2-nitrophenyl)piperidin-1-amine.
What is the SMILES notation for N-(5-methoxy-2-nitrophenyl)piperidin-1-amine?
The canonical SMILES for N-(5-methoxy-2-nitrophenyl)piperidin-1-amine is COc1ccc([N+](=O)[O-])c(NN2CCCCC2)c1.
What is the InChIKey of N-(5-methoxy-2-nitrophenyl)piperidin-1-amine?
The InChIKey is QMAITWKKDHVQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-10-5-6-12(15(16)17)11(9-10)13-14-7-3-2-4-8-14/h5-6,9,13H,2-4,7-8H2,1H3.
What are the key properties of N-(5-methoxy-2-nitrophenyl)piperidin-1-amine?
N-(5-methoxy-2-nitrophenyl)piperidin-1-amine has a molecular weight of 251.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-nitrophenyl)piperidin-1-amine is sourced from PubChem (CID 83026142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).