5-[(6E)-6-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4-dienoxy]nona-6,8-dienyl]-2-methylpiperidine

C23H38FNO — CID 139459237

About 5-[(6E)-6-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4-dienoxy]nona-6,8-dienyl]-2-methylpiperidine

5-[(6E)-6-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4-dienoxy]nona-6,8-dienyl]-2-methylpiperidine (PubChem CID 139459237) has the molecular formula C23H38FNO and a molecular weight of 363.56 g/mol. Its IUPAC name is 5-[(6E)-6-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4-dienoxy]nona-6,8-dienyl]-2-methylpiperidine.

Molecular Properties

• Compound Name: 5-[(6E)-6-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4-dienoxy]nona-6,8-dienyl]-2-methylpiperidine
• PubChem CID: 139459237
• Molecular Formula: C23H38FNO
• Molecular Weight: 363.56 g/mol
• Exact Mass: 363.29
• IUPAC Name: 5-[(6E)-6-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4-dienoxy]nona-6,8-dienyl]-2-methylpiperidine
• SMILES: C=C/C=C(\CCCCCC1CCC(C)NC1)OC/C(C)=C(F)/C=C\CC
• InChI: InChI=1S/C23H38FNO/c1-5-7-14-23(24)19(3)18-26-22(11-6-2)13-10-8-9-12-21-16-15-20(4)25-17-21/h6-7,11,14,20-21,25H,2,5,8-10,12-13,15-18H2,1,3-4H3/b14-7-,22-11+,23-19-
• InChIKey: GXMDOSVPRIGCRJ-PXTADJILSA-N
• XLogP: 6.62
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	363.56
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(6E)-6-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4-dienoxy]nona-6,8-dienyl]-2-methylpiperidine?

The IUPAC name of 5-[(6E)-6-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4-dienoxy]nona-6,8-dienyl]-2-methylpiperidine (CID 139459237) is 5-[(6E)-6-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4-dienoxy]nona-6,8-dienyl]-2-methylpiperidine.

What is the SMILES notation for 5-[(6E)-6-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4-dienoxy]nona-6,8-dienyl]-2-methylpiperidine?

The canonical SMILES for 5-[(6E)-6-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4-dienoxy]nona-6,8-dienyl]-2-methylpiperidine is C=C/C=C(\CCCCCC1CCC(C)NC1)OC/C(C)=C(F)/C=C\CC.

What is the InChIKey of 5-[(6E)-6-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4-dienoxy]nona-6,8-dienyl]-2-methylpiperidine?

The InChIKey is GXMDOSVPRIGCRJ-PXTADJILSA-N. The full InChI is InChI=1S/C23H38FNO/c1-5-7-14-23(24)19(3)18-26-22(11-6-2)13-10-8-9-12-21-16-15-20(4)25-17-21/h6-7,11,14,20-21,25H,2,5,8-10,12-13,15-18H2,1,3-4H3/b14-7-,22-11+,23-19-.

What are the key properties of 5-[(6E)-6-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4-dienoxy]nona-6,8-dienyl]-2-methylpiperidine?

5-[(6E)-6-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4-dienoxy]nona-6,8-dienyl]-2-methylpiperidine has a molecular weight of 363.56 g/mol, XLogP of 6.62, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(6E)-6-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4-dienoxy]nona-6,8-dienyl]-2-methylpiperidine is sourced from PubChem (CID 139459237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).