6-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)indazole

C34H43N3O5 — CID 68504442

About 6-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)indazole

6-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)indazole (PubChem CID 68504442) has the molecular formula C34H43N3O5 and a molecular weight of 573.73 g/mol. Its IUPAC name is 6-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)indazole.

Molecular Properties

• Compound Name: 6-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)indazole
• PubChem CID: 68504442
• Molecular Formula: C34H43N3O5
• Molecular Weight: 573.73 g/mol
• Exact Mass: 573.32
• IUPAC Name: 6-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)indazole
• SMILES: COCCCn1ncc2ccc(COC3CNCCC3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21
• InChI: InChI=1S/C34H43N3O5/c1-38-18-5-17-37-32-21-26(9-10-28(32)22-36-37)24-42-34-23-35-16-15-31(34)27-11-13-30(14-12-27)41-20-6-19-40-25-29-7-3-4-8-33(29)39-2/h3-4,7-14,21-22,31,34-35H,5-6,15-20,23-25H2,1-2H3
• InChIKey: CEJYWZITNMVBCH-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 76.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.73
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
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 6-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)indazole?

The IUPAC name of 6-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)indazole (CID 68504442) is 6-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)indazole.

What is the SMILES notation for 6-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)indazole?

The canonical SMILES for 6-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)indazole is COCCCn1ncc2ccc(COC3CNCCC3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21.

What is the InChIKey of 6-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)indazole?

The InChIKey is CEJYWZITNMVBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N3O5/c1-38-18-5-17-37-32-21-26(9-10-28(32)22-36-37)24-42-34-23-35-16-15-31(34)27-11-13-30(14-12-27)41-20-6-19-40-25-29-7-3-4-8-33(29)39-2/h3-4,7-14,21-22,31,34-35H,5-6,15-20,23-25H2,1-2H3.

What are the key properties of 6-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)indazole?

6-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)indazole has a molecular weight of 573.73 g/mol, XLogP of 5.73, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)indazole is sourced from PubChem (CID 68504442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).