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

C12H18N4O2 — CID 55167976

IUPACN-methyl-1-[1-(6-nitro-3-pyridinyl)piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C12H18N4O2/c1-13-8-10-4-2-3-7-15(10)11-5-6-12(14-9-11)16(17)18/h5-6,9-10,13H,2-4,7-8H2,1H3
InChIKeyKFFIZFOGLASLEO-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.57
Rot. Bonds4

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

N-methyl-1-[1-(6-nitro-3-pyridinyl)piperidin-2-yl]methanamine (PubChem CID 55167976) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-methyl-1-[1-(6-nitro-3-pyridinyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(6-nitro-3-pyridinyl)piperidin-2-yl]methanamine
PubChem CID55167976
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-methyl-1-[1-(6-nitro-3-pyridinyl)piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C12H18N4O2/c1-13-8-10-4-2-3-7-15(10)11-5-6-12(14-9-11)16(17)18/h5-6,9-10,13H,2-4,7-8H2,1H3
InChIKeyKFFIZFOGLASLEO-UHFFFAOYSA-N
XLogP1.57
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.57
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 N-methyl-1-[1-(6-nitro-3-pyridinyl)piperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(6-nitro-3-pyridinyl)piperidin-2-yl]methanamine (CID 55167976) is N-methyl-1-[1-(6-nitro-3-pyridinyl)piperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(6-nitro-3-pyridinyl)piperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(6-nitro-3-pyridinyl)piperidin-2-yl]methanamine is CNCC1CCCCN1c1ccc([N+](=O)[O-])nc1.
What is the InChIKey of N-methyl-1-[1-(6-nitro-3-pyridinyl)piperidin-2-yl]methanamine?
The InChIKey is KFFIZFOGLASLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-13-8-10-4-2-3-7-15(10)11-5-6-12(14-9-11)16(17)18/h5-6,9-10,13H,2-4,7-8H2,1H3.
What are the key properties of N-methyl-1-[1-(6-nitro-3-pyridinyl)piperidin-2-yl]methanamine?
N-methyl-1-[1-(6-nitro-3-pyridinyl)piperidin-2-yl]methanamine has a molecular weight of 250.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(6-nitro-3-pyridinyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 55167976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).