[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine

C12H18N4O2 — CID 83271828

IUPAC[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine
SMILESCc1cnc(N2CCCCC2CN)cc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-9-8-14-12(6-11(9)16(17)18)15-5-3-2-4-10(15)7-13/h6,8,10H,2-5,7,13H2,1H3
InChIKeyXQQIYFXECBOTJP-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.62
Rot. Bonds3

About [1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine

[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine (PubChem CID 83271828) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is [1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine
PubChem CID83271828
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine
SMILESCc1cnc(N2CCCCC2CN)cc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-9-8-14-12(6-11(9)16(17)18)15-5-3-2-4-10(15)7-13/h6,8,10H,2-5,7,13H2,1H3
InChIKeyXQQIYFXECBOTJP-UHFFFAOYSA-N
XLogP1.62
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.62
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

[4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine
CID 83271655
3-[1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol
CID 83271926
[4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 103353516
6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile
CID 103472236
5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 83259903
[1-(4-fluoro-5-methyl-2-nitrophenyl)pyrrolidin-2-yl]methanamine
CID 103594248
1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea
CID 133396975
[1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 115313331
[1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine
CID 103080353
(2S)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964915
2-(5-methyl-4-nitro-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892322
ethyl 1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 79176555

Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine?
The IUPAC name of [1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine (CID 83271828) is [1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine is Cc1cnc(N2CCCCC2CN)cc1[N+](=O)[O-].
What is the InChIKey of [1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine?
The InChIKey is XQQIYFXECBOTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-8-14-12(6-11(9)16(17)18)15-5-3-2-4-10(15)7-13/h6,8,10H,2-5,7,13H2,1H3.
What are the key properties of [1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine?
[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine has a molecular weight of 250.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 83271828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).