[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine

C12H18N4O3 — CID 115323231

IUPAC[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine
SMILESCOc1ccc([N+](=O)[O-])c(N2CCCC(CN)C2)n1
InChIInChI=1S/C12H18N4O3/c1-19-11-5-4-10(16(17)18)12(14-11)15-6-2-3-9(7-13)8-15/h4-5,9H,2-3,6-8,13H2,1H3
InChIKeyQPIDLDHWYCEOMJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.17
Rot. Bonds4

About [1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine

[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine (PubChem CID 115323231) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is [1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine
PubChem CID115323231
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine
SMILESCOc1ccc([N+](=O)[O-])c(N2CCCC(CN)C2)n1
InChIInChI=1S/C12H18N4O3/c1-19-11-5-4-10(16(17)18)12(14-11)15-6-2-3-9(7-13)8-15/h4-5,9H,2-3,6-8,13H2,1H3
InChIKeyQPIDLDHWYCEOMJ-UHFFFAOYSA-N
XLogP1.17
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.17
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

2,6-bis[(3S)-3-(methoxymethyl)piperidin-1-yl]-3-nitropyridine
CID 99794916
1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine
CID 115323244
1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 2826405
[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 81137665
1-(6-methoxy-3-nitro-2-pyridinyl)-1,4-diazepane
CID 113286359
[1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-2-yl]methanamine
CID 103442387
[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-yl]methanamine
CID 81135913
[1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-yl]methanamine
CID 107260440
1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine
CID 115323324
1-(3-chloropropyl)-4-(6-methoxy-3-nitro-2-pyridinyl)piperazine
CID 110184367
1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 80703735
[1-(6-methoxy-3-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636978

Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine?
The IUPAC name of [1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine (CID 115323231) is [1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine?
The canonical SMILES for [1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine is COc1ccc([N+](=O)[O-])c(N2CCCC(CN)C2)n1.
What is the InChIKey of [1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine?
The InChIKey is QPIDLDHWYCEOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-19-11-5-4-10(16(17)18)12(14-11)15-6-2-3-9(7-13)8-15/h4-5,9H,2-3,6-8,13H2,1H3.
What are the key properties of [1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine?
[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine has a molecular weight of 266.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 115323231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).