4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide

C₉H₁₉N₃O — CID 63977675

About 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide

4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide (PubChem CID 63977675) has the molecular formula C₉H₁₉N₃O and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

• Compound Name: 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide
• PubChem CID: 63977675
• Molecular Formula: C₉H₁₉N₃O
• Molecular Weight: 185.27 g/mol
• Exact Mass: 185.15
• IUPAC Name: 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide
• SMILES: C/N=C(\N)N1CCC(COC)CC1
• InChI: InChI=1S/C9H19N3O/c1-11-9(10)12-5-3-8(4-6-12)7-13-2/h8H,3-7H2,1-2H3,(H2,10,11)
• InChIKey: BWKSSMIOTSMQMS-UHFFFAOYSA-N
• XLogP: 0.29
• TPSA: 50.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	185.27
LogP ≤ 5	0.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide?

The IUPAC name of 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide (CID 63977675) is 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide.

What is the SMILES notation for 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide?

The canonical SMILES for 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide is C/N=C(\N)N1CCC(COC)CC1.

What is the InChIKey of 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide?

The InChIKey is BWKSSMIOTSMQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11-9(10)12-5-3-8(4-6-12)7-13-2/h8H,3-7H2,1-2H3,(H2,10,11).

What are the key properties of 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide?

4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide has a molecular weight of 185.27 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 63977675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63977675 — identifiers, structure, computed properties (public domain)

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