N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide

C22H30FIN6 — CID 111061860

About N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide

N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111061860) has the molecular formula C22H30FIN6 and a molecular weight of 524.43 g/mol. Its IUPAC name is N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 111061860
• Molecular Formula: C22H30FIN6
• Molecular Weight: 524.43 g/mol
• Exact Mass: 524.16
• IUPAC Name: N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
• SMILES: I.N/C(=N\Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)N1CCCCC1
• InChI: InChI=1S/C22H29FN6.HI/c23-19-4-6-20(7-5-19)27-12-14-28(15-13-27)21-16-18(8-9-25-21)17-26-22(24)29-10-2-1-3-11-29;/h4-9,16H,1-3,10-15,17H2,(H2,24,26);1H
• InChIKey: IDNQSXRUSOILIF-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 60.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.43
LogP ≤ 5	3.47
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'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 111061860) is N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide?

The canonical SMILES for N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)N1CCCCC1.

What is the InChIKey of N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide?

The InChIKey is IDNQSXRUSOILIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN6.HI/c23-19-4-6-20(7-5-19)27-12-14-28(15-13-27)21-16-18(8-9-25-21)17-26-22(24)29-10-2-1-3-11-29;/h4-9,16H,1-3,10-15,17H2,(H2,24,26);1H.

What are the key properties of N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide?

N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 524.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111061860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).