1-(2,4-dimethyl-6-nitro-3-pyridinyl)piperidin-4-amine

C12H18N4O2 — CID 123294822

IUPAC1-(2,4-dimethyl-6-nitro-3-pyridinyl)piperidin-4-amine
SMILESCc1cc([N+](=O)[O-])nc(C)c1N1CCC(N)CC1
InChIInChI=1S/C12H18N4O2/c1-8-7-11(16(17)18)14-9(2)12(8)15-5-3-10(13)4-6-15/h7,10H,3-6,13H2,1-2H3
InChIKeyYHLLQOIVFHLLGF-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.53
Rot. Bonds2

About 1-(2,4-dimethyl-6-nitro-3-pyridinyl)piperidin-4-amine

1-(2,4-dimethyl-6-nitro-3-pyridinyl)piperidin-4-amine (PubChem CID 123294822) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(2,4-dimethyl-6-nitro-3-pyridinyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,4-dimethyl-6-nitro-3-pyridinyl)piperidin-4-amine
PubChem CID123294822
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-(2,4-dimethyl-6-nitro-3-pyridinyl)piperidin-4-amine
SMILESCc1cc([N+](=O)[O-])nc(C)c1N1CCC(N)CC1
InChIInChI=1S/C12H18N4O2/c1-8-7-11(16(17)18)14-9(2)12(8)15-5-3-10(13)4-6-15/h7,10H,3-6,13H2,1-2H3
InChIKeyYHLLQOIVFHLLGF-UHFFFAOYSA-N
XLogP1.53
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.53
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 1-(2,4-dimethyl-6-nitro-3-pyridinyl)piperidin-4-amine?
The IUPAC name of 1-(2,4-dimethyl-6-nitro-3-pyridinyl)piperidin-4-amine (CID 123294822) is 1-(2,4-dimethyl-6-nitro-3-pyridinyl)piperidin-4-amine.
What is the SMILES notation for 1-(2,4-dimethyl-6-nitro-3-pyridinyl)piperidin-4-amine?
The canonical SMILES for 1-(2,4-dimethyl-6-nitro-3-pyridinyl)piperidin-4-amine is Cc1cc([N+](=O)[O-])nc(C)c1N1CCC(N)CC1.
What is the InChIKey of 1-(2,4-dimethyl-6-nitro-3-pyridinyl)piperidin-4-amine?
The InChIKey is YHLLQOIVFHLLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-7-11(16(17)18)14-9(2)12(8)15-5-3-10(13)4-6-15/h7,10H,3-6,13H2,1-2H3.
What are the key properties of 1-(2,4-dimethyl-6-nitro-3-pyridinyl)piperidin-4-amine?
1-(2,4-dimethyl-6-nitro-3-pyridinyl)piperidin-4-amine has a molecular weight of 250.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-6-nitro-3-pyridinyl)piperidin-4-amine is sourced from PubChem (CID 123294822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).