4-methyl-N-[(3-methyl-2-nitroimidazol-4-yl)methyl]piperidin-1-amine

C11H19N5O2 — CID 3052892

IUPAC4-methyl-N-[(3-methyl-2-nitroimidazol-4-yl)methyl]piperidin-1-amine
SMILESCC1CCN(NCc2cnc([N+](=O)[O-])n2C)CC1
InChIInChI=1S/C11H19N5O2/c1-9-3-5-15(6-4-9)13-8-10-7-12-11(14(10)2)16(17)18/h7,9,13H,3-6,8H2,1-2H3
InChIKeyFCRZBTHQNBQXQC-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.06
Rot. Bonds4

About 4-methyl-N-[(3-methyl-2-nitroimidazol-4-yl)methyl]piperidin-1-amine

4-methyl-N-[(3-methyl-2-nitroimidazol-4-yl)methyl]piperidin-1-amine (PubChem CID 3052892) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-methyl-N-[(3-methyl-2-nitroimidazol-4-yl)methyl]piperidin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(3-methyl-2-nitroimidazol-4-yl)methyl]piperidin-1-amine
PubChem CID3052892
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name4-methyl-N-[(3-methyl-2-nitroimidazol-4-yl)methyl]piperidin-1-amine
SMILESCC1CCN(NCc2cnc([N+](=O)[O-])n2C)CC1
InChIInChI=1S/C11H19N5O2/c1-9-3-5-15(6-4-9)13-8-10-7-12-11(14(10)2)16(17)18/h7,9,13H,3-6,8H2,1-2H3
InChIKeyFCRZBTHQNBQXQC-UHFFFAOYSA-N
XLogP1.06
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
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 4-methyl-N-[(3-methyl-2-nitroimidazol-4-yl)methyl]piperidin-1-amine?
The IUPAC name of 4-methyl-N-[(3-methyl-2-nitroimidazol-4-yl)methyl]piperidin-1-amine (CID 3052892) is 4-methyl-N-[(3-methyl-2-nitroimidazol-4-yl)methyl]piperidin-1-amine.
What is the SMILES notation for 4-methyl-N-[(3-methyl-2-nitroimidazol-4-yl)methyl]piperidin-1-amine?
The canonical SMILES for 4-methyl-N-[(3-methyl-2-nitroimidazol-4-yl)methyl]piperidin-1-amine is CC1CCN(NCc2cnc([N+](=O)[O-])n2C)CC1.
What is the InChIKey of 4-methyl-N-[(3-methyl-2-nitroimidazol-4-yl)methyl]piperidin-1-amine?
The InChIKey is FCRZBTHQNBQXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-9-3-5-15(6-4-9)13-8-10-7-12-11(14(10)2)16(17)18/h7,9,13H,3-6,8H2,1-2H3.
What are the key properties of 4-methyl-N-[(3-methyl-2-nitroimidazol-4-yl)methyl]piperidin-1-amine?
4-methyl-N-[(3-methyl-2-nitroimidazol-4-yl)methyl]piperidin-1-amine has a molecular weight of 253.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-methyl-2-nitroimidazol-4-yl)methyl]piperidin-1-amine is sourced from PubChem (CID 3052892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).