1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide

C24H36IN5O — CID 110055329

About 1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide

1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide (PubChem CID 110055329) has the molecular formula C24H36IN5O and a molecular weight of 537.49 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide
• PubChem CID: 110055329
• Molecular Formula: C24H36IN5O
• Molecular Weight: 537.49 g/mol
• Exact Mass: 537.20
• IUPAC Name: 1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide
• SMILES: Cc1ccc(N2CCC(N/C(=N/CCc3ccco3)NC3CCCCC3)CC2)nc1.I
• InChI: InChI=1S/C24H35N5O.HI/c1-19-9-10-23(26-18-19)29-15-12-21(13-16-29)28-24(27-20-6-3-2-4-7-20)25-14-11-22-8-5-17-30-22;/h5,8-10,17-18,20-21H,2-4,6-7,11-16H2,1H3,(H2,25,27,28);1H
• InChIKey: RXDKWYDGQPGWIL-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 65.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.49
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	2
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 1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide?

The IUPAC name of 1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide (CID 110055329) is 1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide.

What is the SMILES notation for 1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide?

The canonical SMILES for 1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide is Cc1ccc(N2CCC(N/C(=N/CCc3ccco3)NC3CCCCC3)CC2)nc1.I.

What is the InChIKey of 1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide?

The InChIKey is RXDKWYDGQPGWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O.HI/c1-19-9-10-23(26-18-19)29-15-12-21(13-16-29)28-24(27-20-6-3-2-4-7-20)25-14-11-22-8-5-17-30-22;/h5,8-10,17-18,20-21H,2-4,6-7,11-16H2,1H3,(H2,25,27,28);1H.

What are the key properties of 1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide?

1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide has a molecular weight of 537.49 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide is sourced from PubChem (CID 110055329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).