1-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylpropyl)piperidine

C₁₂H₂₃N₃ — CID 59176371

About 1-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylpropyl)piperidine

1-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylpropyl)piperidine (PubChem CID 59176371) has the molecular formula C₁₂H₂₃N₃ and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylpropyl)piperidine.

Molecular Properties

• Compound Name: 1-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylpropyl)piperidine
• PubChem CID: 59176371
• Molecular Formula: C₁₂H₂₃N₃
• Molecular Weight: 209.34 g/mol
• Exact Mass: 209.19
• IUPAC Name: 1-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylpropyl)piperidine
• SMILES: CC(C)CC1CCN(C2=NCCN2)CC1
• InChI: InChI=1S/C12H23N3/c1-10(2)9-11-3-7-15(8-4-11)12-13-5-6-14-12/h10-11H,3-9H2,1-2H3,(H,13,14)
• InChIKey: RSSWLNBGZRAAQC-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 27.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.34
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylpropyl)piperidine?

The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylpropyl)piperidine (CID 59176371) is 1-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylpropyl)piperidine.

What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylpropyl)piperidine?

The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylpropyl)piperidine is CC(C)CC1CCN(C2=NCCN2)CC1.

What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylpropyl)piperidine?

The InChIKey is RSSWLNBGZRAAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(2)9-11-3-7-15(8-4-11)12-13-5-6-14-12/h10-11H,3-9H2,1-2H3,(H,13,14).

What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylpropyl)piperidine?

1-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylpropyl)piperidine has a molecular weight of 209.34 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylpropyl)piperidine is sourced from PubChem (CID 59176371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 59176371 — identifiers, structure, computed properties (public domain)

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