1-[1-[(3E,5E)-6-chloro-3-methylocta-3,5,7-trien-2-yl]piperidin-4-yl]-4-[(3Z,5E)-5-ethylidene-3,6-dimethylocta-1,3,6,7-tetraen-2-yl]piperazine

C30H44ClN3 — CID 143279707

About 1-[1-[(3E,5E)-6-chloro-3-methylocta-3,5,7-trien-2-yl]piperidin-4-yl]-4-[(3Z,5E)-5-ethylidene-3,6-dimethylocta-1,3,6,7-tetraen-2-yl]piperazine

1-[1-[(3E,5E)-6-chloro-3-methylocta-3,5,7-trien-2-yl]piperidin-4-yl]-4-[(3Z,5E)-5-ethylidene-3,6-dimethylocta-1,3,6,7-tetraen-2-yl]piperazine (PubChem CID 143279707) has the molecular formula C30H44ClN3 and a molecular weight of 482.16 g/mol. Its IUPAC name is 1-[1-[(3E,5E)-6-chloro-3-methylocta-3,5,7-trien-2-yl]piperidin-4-yl]-4-[(3Z,5E)-5-ethylidene-3,6-dimethylocta-1,3,6,7-tetraen-2-yl]piperazine.

Molecular Properties

• Compound Name: 1-[1-[(3E,5E)-6-chloro-3-methylocta-3,5,7-trien-2-yl]piperidin-4-yl]-4-[(3Z,5E)-5-ethylidene-3,6-dimethylocta-1,3,6,7-tetraen-2-yl]piperazine
• PubChem CID: 143279707
• Molecular Formula: C30H44ClN3
• Molecular Weight: 482.16 g/mol
• Exact Mass: 481.32
• IUPAC Name: 1-[1-[(3E,5E)-6-chloro-3-methylocta-3,5,7-trien-2-yl]piperidin-4-yl]-4-[(3Z,5E)-5-ethylidene-3,6-dimethylocta-1,3,6,7-tetraen-2-yl]piperazine
• SMILES: C=C=C(C)C(/C=C(/C)C(=C)N1CCN(C2CCN(C(C)/C(C)=C/C=C(/Cl)C=C)CC2)CC1)=C/C
• InChI: InChI=1S/C30H44ClN3/c1-9-23(4)28(10-2)22-25(6)27(8)33-18-20-34(21-19-33)30-14-16-32(17-15-30)26(7)24(5)12-13-29(31)11-3/h10-13,22,26,30H,1,3,8,14-21H2,2,4-7H3/b24-12+,25-22-,28-10+,29-13+
• InChIKey: FMTAXRCZPAUEAR-SOQUXARBSA-N
• XLogP: 6.85
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.16
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3E,5E)-6-chloro-3-methylocta-3,5,7-trien-2-yl]piperidin-4-yl]-4-[(3Z,5E)-5-ethylidene-3,6-dimethylocta-1,3,6,7-tetraen-2-yl]piperazine?

The IUPAC name of 1-[1-[(3E,5E)-6-chloro-3-methylocta-3,5,7-trien-2-yl]piperidin-4-yl]-4-[(3Z,5E)-5-ethylidene-3,6-dimethylocta-1,3,6,7-tetraen-2-yl]piperazine (CID 143279707) is 1-[1-[(3E,5E)-6-chloro-3-methylocta-3,5,7-trien-2-yl]piperidin-4-yl]-4-[(3Z,5E)-5-ethylidene-3,6-dimethylocta-1,3,6,7-tetraen-2-yl]piperazine.

What is the SMILES notation for 1-[1-[(3E,5E)-6-chloro-3-methylocta-3,5,7-trien-2-yl]piperidin-4-yl]-4-[(3Z,5E)-5-ethylidene-3,6-dimethylocta-1,3,6,7-tetraen-2-yl]piperazine?

The canonical SMILES for 1-[1-[(3E,5E)-6-chloro-3-methylocta-3,5,7-trien-2-yl]piperidin-4-yl]-4-[(3Z,5E)-5-ethylidene-3,6-dimethylocta-1,3,6,7-tetraen-2-yl]piperazine is C=C=C(C)C(/C=C(/C)C(=C)N1CCN(C2CCN(C(C)/C(C)=C/C=C(/Cl)C=C)CC2)CC1)=C/C.

What is the InChIKey of 1-[1-[(3E,5E)-6-chloro-3-methylocta-3,5,7-trien-2-yl]piperidin-4-yl]-4-[(3Z,5E)-5-ethylidene-3,6-dimethylocta-1,3,6,7-tetraen-2-yl]piperazine?

The InChIKey is FMTAXRCZPAUEAR-SOQUXARBSA-N. The full InChI is InChI=1S/C30H44ClN3/c1-9-23(4)28(10-2)22-25(6)27(8)33-18-20-34(21-19-33)30-14-16-32(17-15-30)26(7)24(5)12-13-29(31)11-3/h10-13,22,26,30H,1,3,8,14-21H2,2,4-7H3/b24-12+,25-22-,28-10+,29-13+.

What are the key properties of 1-[1-[(3E,5E)-6-chloro-3-methylocta-3,5,7-trien-2-yl]piperidin-4-yl]-4-[(3Z,5E)-5-ethylidene-3,6-dimethylocta-1,3,6,7-tetraen-2-yl]piperazine?

1-[1-[(3E,5E)-6-chloro-3-methylocta-3,5,7-trien-2-yl]piperidin-4-yl]-4-[(3Z,5E)-5-ethylidene-3,6-dimethylocta-1,3,6,7-tetraen-2-yl]piperazine has a molecular weight of 482.16 g/mol, XLogP of 6.85, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(3E,5E)-6-chloro-3-methylocta-3,5,7-trien-2-yl]piperidin-4-yl]-4-[(3Z,5E)-5-ethylidene-3,6-dimethylocta-1,3,6,7-tetraen-2-yl]piperazine is sourced from PubChem (CID 143279707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).