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

C34H62N4 — CID 155617679

IUPAC1-[(2E,6Z,10Z)-2,6-dimethyl-10-[(E)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine
SMILESCCCCC/C=C(/CC/C=C(/C)CC/C=C(\C)CN1CCN(C)CC1)CC/C=C(\C)CN1CCN(C)CC1
InChIInChI=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-
InChIKeyHASBJFYJNOSONU-GGHOBVFWSA-N
MW526.90 g/mol
LogP7.17
Rot. Bonds17

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

1-[(2E,6Z,10Z)-2,6-dimethyl-10-[(E)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine (PubChem CID 155617679) has the molecular formula C34H62N4 and a molecular weight of 526.90 g/mol. Its IUPAC name is 1-[(2E,6Z,10Z)-2,6-dimethyl-10-[(E)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2E,6Z,10Z)-2,6-dimethyl-10-[(E)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine
PubChem CID155617679
Molecular FormulaC34H62N4
Molecular Weight526.90 g/mol
Exact Mass526.50
IUPAC Name1-[(2E,6Z,10Z)-2,6-dimethyl-10-[(E)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine
SMILESCCCCC/C=C(/CC/C=C(/C)CC/C=C(\C)CN1CCN(C)CC1)CC/C=C(\C)CN1CCN(C)CC1
InChIInChI=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-
InChIKeyHASBJFYJNOSONU-GGHOBVFWSA-N
XLogP7.17
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.90
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,6Z,10Z)-2,6-dimethyl-10-[(E)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine?
The IUPAC name of 1-[(2E,6Z,10Z)-2,6-dimethyl-10-[(E)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine (CID 155617679) is 1-[(2E,6Z,10Z)-2,6-dimethyl-10-[(E)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2E,6Z,10Z)-2,6-dimethyl-10-[(E)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2E,6Z,10Z)-2,6-dimethyl-10-[(E)-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-[(2E,6Z,10Z)-2,6-dimethyl-10-[(E)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine?
The InChIKey is HASBJFYJNOSONU-GGHOBVFWSA-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-[(2E,6Z,10Z)-2,6-dimethyl-10-[(E)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine?
1-[(2E,6Z,10Z)-2,6-dimethyl-10-[(E)-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-[(2E,6Z,10Z)-2,6-dimethyl-10-[(E)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine is sourced from PubChem (CID 155617679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).