N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine

C₁₂H₂₂N₄ — CID 62763210

About N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine

N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine (PubChem CID 62763210) has the molecular formula C₁₂H₂₂N₄ and a molecular weight of 222.34 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

• Compound Name: N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine
• PubChem CID: 62763210
• Molecular Formula: C₁₂H₂₂N₄
• Molecular Weight: 222.34 g/mol
• Exact Mass: 222.18
• IUPAC Name: N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine
• SMILES: CC1CCN(CCNCc2cnc[nH]2)CC1
• InChI: InChI=1S/C12H22N4/c1-11-2-5-16(6-3-11)7-4-13-8-12-9-14-10-15-12/h9-11,13H,2-8H2,1H3,(H,14,15)
• InChIKey: MUSVTOTXXOECSR-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 43.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	222.34
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine?

The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine (CID 62763210) is N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine.

What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine?

The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine is CC1CCN(CCNCc2cnc[nH]2)CC1.

What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine?

The InChIKey is MUSVTOTXXOECSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-11-2-5-16(6-3-11)7-4-13-8-12-9-14-10-15-12/h9-11,13H,2-8H2,1H3,(H,14,15).

What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine?

N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine has a molecular weight of 222.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 62763210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62763210 — identifiers, structure, computed properties (public domain)

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