N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine

C14H22N4O2 — CID 81136054

IUPACN-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine
SMILESCNCCC1CCCCN1c1nc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-11-6-7-13(18(19)20)14(16-11)17-10-4-3-5-12(17)8-9-15-2/h6-7,12,15H,3-5,8-10H2,1-2H3
InChIKeyLYIYPFUWKLWYJW-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.27
Rot. Bonds5

About N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine

N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine (PubChem CID 81136054) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine
PubChem CID81136054
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine
SMILESCNCCC1CCCCN1c1nc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-11-6-7-13(18(19)20)14(16-11)17-10-4-3-5-12(17)8-9-15-2/h6-7,12,15H,3-5,8-10H2,1-2H3
InChIKeyLYIYPFUWKLWYJW-UHFFFAOYSA-N
XLogP2.27
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.27
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

2-[1-(5-chloro-2-nitrophenyl)piperidin-2-yl]-N-methylethanamine
CID 115471874
6-[2-[2-(methylamino)ethyl]piperidin-1-yl]-5-nitropyridine-3-carbonitrile
CID 103472359
2-[1-(4-fluoro-5-methyl-2-nitrophenyl)piperidin-2-yl]-N-methylethanamine
CID 103594189
2-[1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanol
CID 80928301
1-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine
CID 81136189
N-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 125131310
[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 80794786
[1-(6-methoxy-3-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636978
6-[2-(hydroxymethyl)azepan-1-yl]-5-nitropyridine-2-carboxylic acid
CID 114404730
N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine
CID 80790379
2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine
CID 97014461
6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine
CID 81333831

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine (CID 81136054) is N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine is CNCCC1CCCCN1c1nc(C)ccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine?
The InChIKey is LYIYPFUWKLWYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-6-7-13(18(19)20)14(16-11)17-10-4-3-5-12(17)8-9-15-2/h6-7,12,15H,3-5,8-10H2,1-2H3.
What are the key properties of N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine?
N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine has a molecular weight of 278.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 81136054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).