N,1-dimethyl-N-(2-methyl-5-nitro-1H-imidazol-4-yl)piperidin-4-amine

C11H19N5O2 — CID 5197362

IUPACN,1-dimethyl-N-(2-methyl-5-nitro-1H-imidazol-4-yl)piperidin-4-amine
SMILESCc1nc(N(C)C2CCN(C)CC2)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C11H19N5O2/c1-8-12-10(11(13-8)16(17)18)15(3)9-4-6-14(2)7-5-9/h9H,4-7H2,1-3H3,(H,12,13)
InChIKeyICAPVVHVICDSHH-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.16
Rot. Bonds3

About N,1-dimethyl-N-(2-methyl-5-nitro-1H-imidazol-4-yl)piperidin-4-amine

N,1-dimethyl-N-(2-methyl-5-nitro-1H-imidazol-4-yl)piperidin-4-amine (PubChem CID 5197362) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N,1-dimethyl-N-(2-methyl-5-nitro-1H-imidazol-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-(2-methyl-5-nitro-1H-imidazol-4-yl)piperidin-4-amine
PubChem CID5197362
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN,1-dimethyl-N-(2-methyl-5-nitro-1H-imidazol-4-yl)piperidin-4-amine
SMILESCc1nc(N(C)C2CCN(C)CC2)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C11H19N5O2/c1-8-12-10(11(13-8)16(17)18)15(3)9-4-6-14(2)7-5-9/h9H,4-7H2,1-3H3,(H,12,13)
InChIKeyICAPVVHVICDSHH-UHFFFAOYSA-N
XLogP1.16
TPSA78.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.16
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,1-dimethyl-N-(2-methyl-5-nitro-1H-imidazol-4-yl)piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-(2-methyl-5-nitro-1H-imidazol-4-yl)piperidin-4-amine (CID 5197362) is N,1-dimethyl-N-(2-methyl-5-nitro-1H-imidazol-4-yl)piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-(2-methyl-5-nitro-1H-imidazol-4-yl)piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-(2-methyl-5-nitro-1H-imidazol-4-yl)piperidin-4-amine is Cc1nc(N(C)C2CCN(C)CC2)c([N+](=O)[O-])[nH]1.
What is the InChIKey of N,1-dimethyl-N-(2-methyl-5-nitro-1H-imidazol-4-yl)piperidin-4-amine?
The InChIKey is ICAPVVHVICDSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8-12-10(11(13-8)16(17)18)15(3)9-4-6-14(2)7-5-9/h9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N,1-dimethyl-N-(2-methyl-5-nitro-1H-imidazol-4-yl)piperidin-4-amine?
N,1-dimethyl-N-(2-methyl-5-nitro-1H-imidazol-4-yl)piperidin-4-amine has a molecular weight of 253.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(2-methyl-5-nitro-1H-imidazol-4-yl)piperidin-4-amine is sourced from PubChem (CID 5197362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).