4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperidine

C22H33NO2 — CID 134576681

About 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperidine

4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperidine (PubChem CID 134576681) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperidine.

Molecular Properties

• Compound Name: 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperidine
• PubChem CID: 134576681
• Molecular Formula: C22H33NO2
• Molecular Weight: 343.51 g/mol
• Exact Mass: 343.25
• IUPAC Name: 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperidine
• SMILES: C=C/C=C\C(=C/C)OCCN1CCC(C)(OC(/C=C\C)=C/C=C)CC1
• InChI: InChI=1S/C22H33NO2/c1-6-10-13-20(9-4)24-19-18-23-16-14-22(5,15-17-23)25-21(11-7-2)12-8-3/h6-13H,1-2,14-19H2,3-5H3/b12-8-,13-10-,20-9+,21-11+
• InChIKey: ISOAFMNCCNXHJV-KSXDQVPSSA-N
• XLogP: 5.17
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	343.51
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperidine?

The IUPAC name of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperidine (CID 134576681) is 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperidine.

What is the SMILES notation for 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperidine?

The canonical SMILES for 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperidine is C=C/C=C\C(=C/C)OCCN1CCC(C)(OC(/C=C\C)=C/C=C)CC1.

What is the InChIKey of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperidine?

The InChIKey is ISOAFMNCCNXHJV-KSXDQVPSSA-N. The full InChI is InChI=1S/C22H33NO2/c1-6-10-13-20(9-4)24-19-18-23-16-14-22(5,15-17-23)25-21(11-7-2)12-8-3/h6-13H,1-2,14-19H2,3-5H3/b12-8-,13-10-,20-9+,21-11+.

What are the key properties of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperidine?

4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperidine has a molecular weight of 343.51 g/mol, XLogP of 5.17, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperidine is sourced from PubChem (CID 134576681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).