N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide

C25H36IN5O — CID 109426059

About N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide

N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide (PubChem CID 109426059) has the molecular formula C25H36IN5O and a molecular weight of 549.50 g/mol. Its IUPAC name is N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
• PubChem CID: 109426059
• Molecular Formula: C25H36IN5O
• Molecular Weight: 549.50 g/mol
• Exact Mass: 549.20
• IUPAC Name: N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
• SMILES: C/N=C(\NCc1ccc(N2CCC(C)CC2)nc1)N1CCC(Oc2ccccc2)CC1.I
• InChI: InChI=1S/C25H35N5O.HI/c1-20-10-14-29(15-11-20)24-9-8-21(18-27-24)19-28-25(26-2)30-16-12-23(13-17-30)31-22-6-4-3-5-7-22;/h3-9,18,20,23H,10-17,19H2,1-2H3,(H,26,28);1H
• InChIKey: RDRYIFGMSAHCRO-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 52.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.50
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'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'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide (CID 109426059) is N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide?

The canonical SMILES for N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCc1ccc(N2CCC(C)CC2)nc1)N1CCC(Oc2ccccc2)CC1.I.

What is the InChIKey of N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide?

The InChIKey is RDRYIFGMSAHCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O.HI/c1-20-10-14-29(15-11-20)24-9-8-21(18-27-24)19-28-25(26-2)30-16-12-23(13-17-30)31-22-6-4-3-5-7-22;/h3-9,18,20,23H,10-17,19H2,1-2H3,(H,26,28);1H.

What are the key properties of N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide?

N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide has a molecular weight of 549.50 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109426059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).