1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide

C₁₄H₂₉N₃O — CID 107161726

About 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide

1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide (PubChem CID 107161726) has the molecular formula C₁₄H₂₉N₃O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide.

Molecular Properties

• Compound Name: 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
• PubChem CID: 107161726
• Molecular Formula: C₁₄H₂₉N₃O
• Molecular Weight: 255.41 g/mol
• Exact Mass: 255.23
• IUPAC Name: 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
• SMILES: CCCCCCCN1CCC(C)(C(N)=NO)CC1
• InChI: InChI=1S/C14H29N3O/c1-3-4-5-6-7-10-17-11-8-14(2,9-12-17)13(15)16-18/h18H,3-12H2,1-2H3,(H2,15,16)
• InChIKey: CEBJFOMIYAJZLA-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 61.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.41
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide?

The IUPAC name of 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide (CID 107161726) is 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide.

What is the SMILES notation for 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide?

The canonical SMILES for 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide is CCCCCCCN1CCC(C)(C(N)=NO)CC1.

What is the InChIKey of 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide?

The InChIKey is CEBJFOMIYAJZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-4-5-6-7-10-17-11-8-14(2,9-12-17)13(15)16-18/h18H,3-12H2,1-2H3,(H2,15,16).

What are the key properties of 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide?

1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide has a molecular weight of 255.41 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107161726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107161726 — identifiers, structure, computed properties (public domain)

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