1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine

C13H20N4O3 — CID 115323244

IUPAC1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2nc(OC)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H20N4O3/c1-14-9-10-5-7-16(8-6-10)13-11(17(18)19)3-4-12(15-13)20-2/h3-4,10,14H,5-9H2,1-2H3
InChIKeyRGLNEPUUOPHCRL-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.43
Rot. Bonds5

About 1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine

1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine (PubChem CID 115323244) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine
PubChem CID115323244
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2nc(OC)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H20N4O3/c1-14-9-10-5-7-16(8-6-10)13-11(17(18)19)3-4-12(15-13)20-2/h3-4,10,14H,5-9H2,1-2H3
InChIKeyRGLNEPUUOPHCRL-UHFFFAOYSA-N
XLogP1.43
TPSA80.53 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 ≤ 51.43
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

1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine
CID 115323324
1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 2826405
1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine
CID 115323328
[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine
CID 115323231
1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 80703735
1-(6-methoxy-3-nitro-2-pyridinyl)-1,4-diazepane
CID 113286359
1-(3-chloropropyl)-4-(6-methoxy-3-nitro-2-pyridinyl)piperazine
CID 110184367
1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63249355
6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-5-nitropyridin-2-amine
CID 80844291
N-[[1-(6-chloro-3-nitro-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736823
[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-yl]methanamine
CID 81135913
1-[1-(2,3-difluoro-6-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63249654

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine (CID 115323244) is 1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(c2nc(OC)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine?
The InChIKey is RGLNEPUUOPHCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-14-9-10-5-7-16(8-6-10)13-11(17(18)19)3-4-12(15-13)20-2/h3-4,10,14H,5-9H2,1-2H3.
What are the key properties of 1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine?
1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine has a molecular weight of 280.33 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 115323244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).