10-hydroxy-12-(1-methanidyl-3-methylpiperidin-4-yl)-5,7-diaza-10-boratricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene;rubidium(1+)

C16H19BN3ORb — CID 155724278

About 10-hydroxy-12-(1-methanidyl-3-methylpiperidin-4-yl)-5,7-diaza-10-boratricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene;rubidium(1+)

10-hydroxy-12-(1-methanidyl-3-methylpiperidin-4-yl)-5,7-diaza-10-boratricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene;rubidium(1+) (PubChem CID 155724278) has the molecular formula C16H19BN3ORb and a molecular weight of 365.63 g/mol. Its IUPAC name is 10-hydroxy-12-(1-methanidyl-3-methylpiperidin-4-yl)-5,7-diaza-10-boratricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene;rubidium(1+).

Molecular Properties

• Compound Name: 10-hydroxy-12-(1-methanidyl-3-methylpiperidin-4-yl)-5,7-diaza-10-boratricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene;rubidium(1+)
• PubChem CID: 155724278
• Molecular Formula: C16H19BN3ORb
• Molecular Weight: 365.63 g/mol
• Exact Mass: 365.07
• IUPAC Name: 10-hydroxy-12-(1-methanidyl-3-methylpiperidin-4-yl)-5,7-diaza-10-boratricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene;rubidium(1+)
• SMILES: [CH2-]N1CCC(C2=CB(O)c3cnc4[nH]ccc4c32)C(C)C1.[Rb+]
• InChI: InChI=1S/C16H19BN3O.Rb/c1-10-9-20(2)6-4-11(10)13-7-17(21)14-8-19-16-12(15(13)14)3-5-18-16;/h3,5,7-8,10-11,21H,2,4,6,9H2,1H3,(H,18,19);/q-1;+1
• InChIKey: GLMOEBGDTIRJPT-UHFFFAOYSA-N
• XLogP: -1.56
• TPSA: 52.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.63
LogP ≤ 5	-1.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-12-(1-methanidyl-3-methylpiperidin-4-yl)-5,7-diaza-10-boratricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene;rubidium(1+)?

The IUPAC name of 10-hydroxy-12-(1-methanidyl-3-methylpiperidin-4-yl)-5,7-diaza-10-boratricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene;rubidium(1+) (CID 155724278) is 10-hydroxy-12-(1-methanidyl-3-methylpiperidin-4-yl)-5,7-diaza-10-boratricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene;rubidium(1+).

What is the SMILES notation for 10-hydroxy-12-(1-methanidyl-3-methylpiperidin-4-yl)-5,7-diaza-10-boratricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene;rubidium(1+)?

The canonical SMILES for 10-hydroxy-12-(1-methanidyl-3-methylpiperidin-4-yl)-5,7-diaza-10-boratricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene;rubidium(1+) is [CH2-]N1CCC(C2=CB(O)c3cnc4[nH]ccc4c32)C(C)C1.[Rb+].

What is the InChIKey of 10-hydroxy-12-(1-methanidyl-3-methylpiperidin-4-yl)-5,7-diaza-10-boratricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene;rubidium(1+)?

The InChIKey is GLMOEBGDTIRJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BN3O.Rb/c1-10-9-20(2)6-4-11(10)13-7-17(21)14-8-19-16-12(15(13)14)3-5-18-16;/h3,5,7-8,10-11,21H,2,4,6,9H2,1H3,(H,18,19);/q-1;+1.

What are the key properties of 10-hydroxy-12-(1-methanidyl-3-methylpiperidin-4-yl)-5,7-diaza-10-boratricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene;rubidium(1+)?

10-hydroxy-12-(1-methanidyl-3-methylpiperidin-4-yl)-5,7-diaza-10-boratricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene;rubidium(1+) has a molecular weight of 365.63 g/mol, XLogP of -1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-hydroxy-12-(1-methanidyl-3-methylpiperidin-4-yl)-5,7-diaza-10-boratricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene;rubidium(1+) is sourced from PubChem (CID 155724278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).