1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide

C21H31IN6 — CID 110967529

About 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide

1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide (PubChem CID 110967529) has the molecular formula C21H31IN6 and a molecular weight of 494.43 g/mol. Its IUPAC name is 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
• PubChem CID: 110967529
• Molecular Formula: C21H31IN6
• Molecular Weight: 494.43 g/mol
• Exact Mass: 494.17
• IUPAC Name: 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
• SMILES: CCN/C(=N\Cc1ccc(N2CCC(C)CC2)nc1)NCc1ccccn1.I
• InChI: InChI=1S/C21H30N6.HI/c1-3-22-21(26-16-19-6-4-5-11-23-19)25-15-18-7-8-20(24-14-18)27-12-9-17(2)10-13-27;/h4-8,11,14,17H,3,9-10,12-13,15-16H2,1-2H3,(H2,22,25,26);1H
• InChIKey: QLRNXBGPBZZTDW-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 65.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.43
LogP ≤ 5	3.59
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-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?

The IUPAC name of 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide (CID 110967529) is 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide is CCN/C(=N\Cc1ccc(N2CCC(C)CC2)nc1)NCc1ccccn1.I.

What is the InChIKey of 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?

The InChIKey is QLRNXBGPBZZTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6.HI/c1-3-22-21(26-16-19-6-4-5-11-23-19)25-15-18-7-8-20(24-14-18)27-12-9-17(2)10-13-27;/h4-8,11,14,17H,3,9-10,12-13,15-16H2,1-2H3,(H2,22,25,26);1H.

What are the key properties of 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?

1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 494.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 110967529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).