3-[[3-methoxy-2-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine

C34H45NO7 — CID 68505630

About 3-[[3-methoxy-2-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine

3-[[3-methoxy-2-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine (PubChem CID 68505630) has the molecular formula C34H45NO7 and a molecular weight of 579.73 g/mol. Its IUPAC name is 3-[[3-methoxy-2-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine.

Molecular Properties

• Compound Name: 3-[[3-methoxy-2-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine
• PubChem CID: 68505630
• Molecular Formula: C34H45NO7
• Molecular Weight: 579.73 g/mol
• Exact Mass: 579.32
• IUPAC Name: 3-[[3-methoxy-2-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine
• SMILES: COCCCOc1c(COC2CNCCC2c2ccc(OCCCOCc3ccccc3OC)cc2)cccc1OC
• InChI: InChI=1S/C34H45NO7/c1-36-19-7-22-41-34-28(10-6-12-32(34)38-3)25-42-33-23-35-18-17-30(33)26-13-15-29(16-14-26)40-21-8-20-39-24-27-9-4-5-11-31(27)37-2/h4-6,9-16,30,33,35H,7-8,17-25H2,1-3H3
• InChIKey: GOFGPDRVEZMUGV-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 76.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.73
LogP ≤ 5	5.77
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 3-[[3-methoxy-2-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine?

The IUPAC name of 3-[[3-methoxy-2-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine (CID 68505630) is 3-[[3-methoxy-2-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine.

What is the SMILES notation for 3-[[3-methoxy-2-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine?

The canonical SMILES for 3-[[3-methoxy-2-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine is COCCCOc1c(COC2CNCCC2c2ccc(OCCCOCc3ccccc3OC)cc2)cccc1OC.

What is the InChIKey of 3-[[3-methoxy-2-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine?

The InChIKey is GOFGPDRVEZMUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45NO7/c1-36-19-7-22-41-34-28(10-6-12-32(34)38-3)25-42-33-23-35-18-17-30(33)26-13-15-29(16-14-26)40-21-8-20-39-24-27-9-4-5-11-31(27)37-2/h4-6,9-16,30,33,35H,7-8,17-25H2,1-3H3.

What are the key properties of 3-[[3-methoxy-2-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine?

3-[[3-methoxy-2-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine has a molecular weight of 579.73 g/mol, XLogP of 5.77, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-methoxy-2-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine is sourced from PubChem (CID 68505630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).