1-[(2Z,6Z,10Z)-2,6-dimethyl-10-[(Z)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine

C34H62N4 — CID 154986371

About 1-[(2Z,6Z,10Z)-2,6-dimethyl-10-[(Z)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine

1-[(2Z,6Z,10Z)-2,6-dimethyl-10-[(Z)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine (PubChem CID 154986371) has the molecular formula C34H62N4 and a molecular weight of 526.90 g/mol. Its IUPAC name is 1-[(2Z,6Z,10Z)-2,6-dimethyl-10-[(Z)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine.

Molecular Properties

• Compound Name: 1-[(2Z,6Z,10Z)-2,6-dimethyl-10-[(Z)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine
• PubChem CID: 154986371
• Molecular Formula: C34H62N4
• Molecular Weight: 526.90 g/mol
• Exact Mass: 526.50
• IUPAC Name: 1-[(2Z,6Z,10Z)-2,6-dimethyl-10-[(Z)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine
• SMILES: CCCCC/C=C(/CC/C=C(/C)CC/C=C(/C)CN1CCN(C)CC1)CC/C=C(/C)CN1CCN(C)CC1
• InChI: InChI=1S/C34H62N4/c1-7-8-9-10-18-34(20-13-17-33(4)30-38-27-23-36(6)24-28-38)19-12-15-31(2)14-11-16-32(3)29-37-25-21-35(5)22-26-37/h15-18H,7-14,19-30H2,1-6H3/b31-15-,32-16-,33-17-,34-18-
• InChIKey: HASBJFYJNOSONU-WOROCARTSA-N
• XLogP: 7.17
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.90
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,6Z,10Z)-2,6-dimethyl-10-[(Z)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine?

The IUPAC name of 1-[(2Z,6Z,10Z)-2,6-dimethyl-10-[(Z)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine (CID 154986371) is 1-[(2Z,6Z,10Z)-2,6-dimethyl-10-[(Z)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine.

What is the SMILES notation for 1-[(2Z,6Z,10Z)-2,6-dimethyl-10-[(Z)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine?

The canonical SMILES for 1-[(2Z,6Z,10Z)-2,6-dimethyl-10-[(Z)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine is CCCCC/C=C(/CC/C=C(/C)CC/C=C(/C)CN1CCN(C)CC1)CC/C=C(/C)CN1CCN(C)CC1.

What is the InChIKey of 1-[(2Z,6Z,10Z)-2,6-dimethyl-10-[(Z)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine?

The InChIKey is HASBJFYJNOSONU-WOROCARTSA-N. The full InChI is InChI=1S/C34H62N4/c1-7-8-9-10-18-34(20-13-17-33(4)30-38-27-23-36(6)24-28-38)19-12-15-31(2)14-11-16-32(3)29-37-25-21-35(5)22-26-37/h15-18H,7-14,19-30H2,1-6H3/b31-15-,32-16-,33-17-,34-18-.

What are the key properties of 1-[(2Z,6Z,10Z)-2,6-dimethyl-10-[(Z)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine?

1-[(2Z,6Z,10Z)-2,6-dimethyl-10-[(Z)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine has a molecular weight of 526.90 g/mol, XLogP of 7.17, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2Z,6Z,10Z)-2,6-dimethyl-10-[(Z)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine is sourced from PubChem (CID 154986371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).