2,2,6,6-tetramethyl-N-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine

C13H23N5O2 — CID 18150151

IUPAC2,2,6,6-tetramethyl-N-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine
SMILESCn1cnc([N+](=O)[O-])c1NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H23N5O2/c1-12(2)6-9(7-13(3,4)16-12)15-11-10(18(19)20)14-8-17(11)5/h8-9,15-16H,6-7H2,1-5H3
InChIKeyGIORNUFIYSXNGV-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.05
Rot. Bonds3

About 2,2,6,6-tetramethyl-N-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine

2,2,6,6-tetramethyl-N-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine (PubChem CID 18150151) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine
PubChem CID18150151
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2,2,6,6-tetramethyl-N-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine
SMILESCn1cnc([N+](=O)[O-])c1NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H23N5O2/c1-12(2)6-9(7-13(3,4)16-12)15-11-10(18(19)20)14-8-17(11)5/h8-9,15-16H,6-7H2,1-5H3
InChIKeyGIORNUFIYSXNGV-UHFFFAOYSA-N
XLogP2.05
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine?
The IUPAC name of 2,2,6,6-tetramethyl-N-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine (CID 18150151) is 2,2,6,6-tetramethyl-N-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine?
The canonical SMILES for 2,2,6,6-tetramethyl-N-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine is Cn1cnc([N+](=O)[O-])c1NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2,2,6,6-tetramethyl-N-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine?
The InChIKey is GIORNUFIYSXNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-12(2)6-9(7-13(3,4)16-12)15-11-10(18(19)20)14-8-17(11)5/h8-9,15-16H,6-7H2,1-5H3.
What are the key properties of 2,2,6,6-tetramethyl-N-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine?
2,2,6,6-tetramethyl-N-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine is sourced from PubChem (CID 18150151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).