2-[3-[1-[2,5-dimethyl-5-[4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidin-1-yl]hexan-2-yl]azetidin-3-yl]oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine

C45H83N3O5 — CID 146332227

About 2-[3-[1-[2,5-dimethyl-5-[4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidin-1-yl]hexan-2-yl]azetidin-3-yl]oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine

2-[3-[1-[2,5-dimethyl-5-[4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidin-1-yl]hexan-2-yl]azetidin-3-yl]oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine (PubChem CID 146332227) has the molecular formula C45H83N3O5 and a molecular weight of 746.17 g/mol. Its IUPAC name is 2-[3-[1-[2,5-dimethyl-5-[4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidin-1-yl]hexan-2-yl]azetidin-3-yl]oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine.

Molecular Properties

• Compound Name: 2-[3-[1-[2,5-dimethyl-5-[4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidin-1-yl]hexan-2-yl]azetidin-3-yl]oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine
• PubChem CID: 146332227
• Molecular Formula: C45H83N3O5
• Molecular Weight: 746.17 g/mol
• Exact Mass: 745.63
• IUPAC Name: 2-[3-[1-[2,5-dimethyl-5-[4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidin-1-yl]hexan-2-yl]azetidin-3-yl]oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine
• SMILES: CC(C)(C)OCCCCCOCCCCCC1CCN(C(C)(C)CCC(C)(C)N2CC(OCCCc3ccc(OCCCOC(C)(C)C)cn3)C2)CC1
• InChI: InChI=1S/C45H83N3O5/c1-42(2,3)52-33-16-12-15-30-49-29-14-11-13-19-38-23-27-47(28-24-38)44(7,8)25-26-45(9,10)48-36-41(37-48)51-31-17-20-39-21-22-40(35-46-39)50-32-18-34-53-43(4,5)6/h21-22,35,38,41H,11-20,23-34,36-37H2,1-10H3
• InChIKey: SHFWEZPLQTTYMX-UHFFFAOYSA-N
• XLogP: 9.91
• TPSA: 65.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 27
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.17
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[2,5-dimethyl-5-[4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidin-1-yl]hexan-2-yl]azetidin-3-yl]oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine?

The IUPAC name of 2-[3-[1-[2,5-dimethyl-5-[4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidin-1-yl]hexan-2-yl]azetidin-3-yl]oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine (CID 146332227) is 2-[3-[1-[2,5-dimethyl-5-[4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidin-1-yl]hexan-2-yl]azetidin-3-yl]oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine.

What is the SMILES notation for 2-[3-[1-[2,5-dimethyl-5-[4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidin-1-yl]hexan-2-yl]azetidin-3-yl]oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine?

The canonical SMILES for 2-[3-[1-[2,5-dimethyl-5-[4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidin-1-yl]hexan-2-yl]azetidin-3-yl]oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine is CC(C)(C)OCCCCCOCCCCCC1CCN(C(C)(C)CCC(C)(C)N2CC(OCCCc3ccc(OCCCOC(C)(C)C)cn3)C2)CC1.

What is the InChIKey of 2-[3-[1-[2,5-dimethyl-5-[4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidin-1-yl]hexan-2-yl]azetidin-3-yl]oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine?

The InChIKey is SHFWEZPLQTTYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H83N3O5/c1-42(2,3)52-33-16-12-15-30-49-29-14-11-13-19-38-23-27-47(28-24-38)44(7,8)25-26-45(9,10)48-36-41(37-48)51-31-17-20-39-21-22-40(35-46-39)50-32-18-34-53-43(4,5)6/h21-22,35,38,41H,11-20,23-34,36-37H2,1-10H3.

What are the key properties of 2-[3-[1-[2,5-dimethyl-5-[4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidin-1-yl]hexan-2-yl]azetidin-3-yl]oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine?

2-[3-[1-[2,5-dimethyl-5-[4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidin-1-yl]hexan-2-yl]azetidin-3-yl]oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine has a molecular weight of 746.17 g/mol, XLogP of 9.91, 27 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-[2,5-dimethyl-5-[4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidin-1-yl]hexan-2-yl]azetidin-3-yl]oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine is sourced from PubChem (CID 146332227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).