1-[(2Z,6E)-6-(iodomethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine

C19H35IN2 — CID 170054233

IUPAC1-[(2Z,6E)-6-(iodomethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine
SMILESCCCCC/C=C(/CI)CC/C=C(/C)CN1CCN(C)CC1
InChIInChI=1S/C19H35IN2/c1-4-5-6-7-10-19(16-20)11-8-9-18(2)17-22-14-12-21(3)13-15-22/h9-10H,4-8,11-17H2,1-3H3/b18-9-,19-10+
InChIKeyZTQVLMXMAXELQI-MXYCIJPUSA-N
MW418.41 g/mol
LogP4.90
Rot. Bonds10

About 1-[(2Z,6E)-6-(iodomethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine

1-[(2Z,6E)-6-(iodomethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine (PubChem CID 170054233) has the molecular formula C19H35IN2 and a molecular weight of 418.41 g/mol. Its IUPAC name is 1-[(2Z,6E)-6-(iodomethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2Z,6E)-6-(iodomethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine
PubChem CID170054233
Molecular FormulaC19H35IN2
Molecular Weight418.41 g/mol
Exact Mass418.18
IUPAC Name1-[(2Z,6E)-6-(iodomethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine
SMILESCCCCC/C=C(/CI)CC/C=C(/C)CN1CCN(C)CC1
InChIInChI=1S/C19H35IN2/c1-4-5-6-7-10-19(16-20)11-8-9-18(2)17-22-14-12-21(3)13-15-22/h9-10H,4-8,11-17H2,1-3H3/b18-9-,19-10+
InChIKeyZTQVLMXMAXELQI-MXYCIJPUSA-N
XLogP4.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Piperazine, 1,4-bis(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446208
Piperazine, 1-allyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446858
3,7,11,15-Tetramethyl-1-(4-methylpyperadino)-hexadeca-2,6,10,14-tetraene
CID 132993812
1-methyl-4-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine
CID 134764499
N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]octa-2,7-dien-1-amine
CID 123343640
lithium 1-[(2E,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine
CID 155617675
1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine
CID 155617676
lithium 1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine
CID 156682907
1-[(2Z,6E,9E,13Z)-6-hexylidene-10-(iodomethyl)-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine
CID 170054241
1-[(Z)-6-(iodomethyl)-2-methyldodec-2-enyl]-4-methylpiperazine
CID 170054353
1-[(2Z,6E,9E,13Z)-6-hexylidene-10-(iodomethyl)-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methyl-1,4-diazepane
CID 170054378
CID 173887162
CID 173887162

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,6E)-6-(iodomethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine?
The IUPAC name of 1-[(2Z,6E)-6-(iodomethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine (CID 170054233) is 1-[(2Z,6E)-6-(iodomethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2Z,6E)-6-(iodomethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2Z,6E)-6-(iodomethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine is CCCCC/C=C(/CI)CC/C=C(/C)CN1CCN(C)CC1.
What is the InChIKey of 1-[(2Z,6E)-6-(iodomethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine?
The InChIKey is ZTQVLMXMAXELQI-MXYCIJPUSA-N. The full InChI is InChI=1S/C19H35IN2/c1-4-5-6-7-10-19(16-20)11-8-9-18(2)17-22-14-12-21(3)13-15-22/h9-10H,4-8,11-17H2,1-3H3/b18-9-,19-10+.
What are the key properties of 1-[(2Z,6E)-6-(iodomethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine?
1-[(2Z,6E)-6-(iodomethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine has a molecular weight of 418.41 g/mol, XLogP of 4.90, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,6E)-6-(iodomethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine is sourced from PubChem (CID 170054233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).