1-(1-methyl-5-nitroimidazol-2-yl)piperidine

C9H14N4O2 — CID 13034390

IUPAC1-(1-methyl-5-nitroimidazol-2-yl)piperidine
SMILESCn1c([N+](=O)[O-])cnc1N1CCCCC1
InChIInChI=1S/C9H14N4O2/c1-11-8(13(14)15)7-10-9(11)12-5-3-2-4-6-12/h7H,2-6H2,1H3
InChIKeyIGMWUGWHEWEOEZ-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.32
Rot. Bonds2

About 1-(1-methyl-5-nitroimidazol-2-yl)piperidine

1-(1-methyl-5-nitroimidazol-2-yl)piperidine (PubChem CID 13034390) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(1-methyl-5-nitroimidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-(1-methyl-5-nitroimidazol-2-yl)piperidine
PubChem CID13034390
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-(1-methyl-5-nitroimidazol-2-yl)piperidine
SMILESCn1c([N+](=O)[O-])cnc1N1CCCCC1
InChIInChI=1S/C9H14N4O2/c1-11-8(13(14)15)7-10-9(11)12-5-3-2-4-6-12/h7H,2-6H2,1H3
InChIKeyIGMWUGWHEWEOEZ-UHFFFAOYSA-N
XLogP1.32
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.32
H-Bond Donors ≤ 50
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-(1-methyl-5-nitroimidazol-2-yl)piperidine?
The IUPAC name of 1-(1-methyl-5-nitroimidazol-2-yl)piperidine (CID 13034390) is 1-(1-methyl-5-nitroimidazol-2-yl)piperidine.
What is the SMILES notation for 1-(1-methyl-5-nitroimidazol-2-yl)piperidine?
The canonical SMILES for 1-(1-methyl-5-nitroimidazol-2-yl)piperidine is Cn1c([N+](=O)[O-])cnc1N1CCCCC1.
What is the InChIKey of 1-(1-methyl-5-nitroimidazol-2-yl)piperidine?
The InChIKey is IGMWUGWHEWEOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-11-8(13(14)15)7-10-9(11)12-5-3-2-4-6-12/h7H,2-6H2,1H3.
What are the key properties of 1-(1-methyl-5-nitroimidazol-2-yl)piperidine?
1-(1-methyl-5-nitroimidazol-2-yl)piperidine has a molecular weight of 210.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-5-nitroimidazol-2-yl)piperidine is sourced from PubChem (CID 13034390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).