N'-[[4-(dimethylamino)-2-methylphenyl]methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide

C24H41IN4O2 — CID 109450266

About N'-[[4-(dimethylamino)-2-methylphenyl]methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide

N'-[[4-(dimethylamino)-2-methylphenyl]methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (PubChem CID 109450266) has the molecular formula C24H41IN4O2 and a molecular weight of 544.52 g/mol. Its IUPAC name is N'-[[4-(dimethylamino)-2-methylphenyl]methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-[[4-(dimethylamino)-2-methylphenyl]methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 109450266
• Molecular Formula: C24H41IN4O2
• Molecular Weight: 544.52 g/mol
• Exact Mass: 544.23
• IUPAC Name: N'-[[4-(dimethylamino)-2-methylphenyl]methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\Cc1ccc(N(C)C)cc1C)N1CCC(OCC2CCCCO2)CC1.I
• InChI: InChI=1S/C24H40N4O2.HI/c1-5-25-24(26-17-20-9-10-21(27(3)4)16-19(20)2)28-13-11-22(12-14-28)30-18-23-8-6-7-15-29-23;/h9-10,16,22-23H,5-8,11-15,17-18H2,1-4H3,(H,25,26);1H
• InChIKey: YWTWEDXOSVPBAO-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 49.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.52
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(dimethylamino)-2-methylphenyl]methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N'-[[4-(dimethylamino)-2-methylphenyl]methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (CID 109450266) is N'-[[4-(dimethylamino)-2-methylphenyl]methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N'-[[4-(dimethylamino)-2-methylphenyl]methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The canonical SMILES for N'-[[4-(dimethylamino)-2-methylphenyl]methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1ccc(N(C)C)cc1C)N1CCC(OCC2CCCCO2)CC1.I.

What is the InChIKey of N'-[[4-(dimethylamino)-2-methylphenyl]methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The InChIKey is YWTWEDXOSVPBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O2.HI/c1-5-25-24(26-17-20-9-10-21(27(3)4)16-19(20)2)28-13-11-22(12-14-28)30-18-23-8-6-7-15-29-23;/h9-10,16,22-23H,5-8,11-15,17-18H2,1-4H3,(H,25,26);1H.

What are the key properties of N'-[[4-(dimethylamino)-2-methylphenyl]methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

N'-[[4-(dimethylamino)-2-methylphenyl]methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 544.52 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[[4-(dimethylamino)-2-methylphenyl]methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109450266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).