[4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine

C13H20N4O2 — CID 103442243

IUPAC[4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
SMILESCc1nc(N2CCC(C)CC2CN)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O2/c1-9-5-6-16(11(7-9)8-14)13-4-3-12(17(18)19)10(2)15-13/h3-4,9,11H,5-8,14H2,1-2H3
InChIKeyMFKBLCCUIMLNTQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.86
Rot. Bonds3

About [4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine

[4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine (PubChem CID 103442243) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
PubChem CID103442243
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
SMILESCc1nc(N2CCC(C)CC2CN)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O2/c1-9-5-6-16(11(7-9)8-14)13-4-3-12(17(18)19)10(2)15-13/h3-4,9,11H,5-8,14H2,1-2H3
InChIKeyMFKBLCCUIMLNTQ-UHFFFAOYSA-N
XLogP1.86
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.86
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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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine (CID 103442243) is [4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine is Cc1nc(N2CCC(C)CC2CN)ccc1[N+](=O)[O-].
What is the InChIKey of [4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine?
The InChIKey is MFKBLCCUIMLNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-5-6-16(11(7-9)8-14)13-4-3-12(17(18)19)10(2)15-13/h3-4,9,11H,5-8,14H2,1-2H3.
What are the key properties of [4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine?
[4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine has a molecular weight of 264.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103442243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).