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

C19H36N2 — CID 155617676

IUPAC1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine
SMILESCCCCC/C=C(/C)CC/C=C(\C)CN1CCN(C)CC1
InChIInChI=1S/C19H36N2/c1-5-6-7-8-10-18(2)11-9-12-19(3)17-21-15-13-20(4)14-16-21/h10,12H,5-9,11,13-17H2,1-4H3/b18-10-,19-12+
InChIKeyZHDGFQNQVQETHM-LLVOSQLVSA-N
MW292.51 g/mol
LogP4.49
Rot. Bonds9

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

1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine (PubChem CID 155617676) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine
PubChem CID155617676
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine
SMILESCCCCC/C=C(/C)CC/C=C(\C)CN1CCN(C)CC1
InChIInChI=1S/C19H36N2/c1-5-6-7-8-10-18(2)11-9-12-19(3)17-21-15-13-20(4)14-16-21/h10,12H,5-9,11,13-17H2,1-4H3/b18-10-,19-12+
InChIKeyZHDGFQNQVQETHM-LLVOSQLVSA-N
XLogP4.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
1-[(E)-2-methylnon-2-enyl]piperidine
CID 10966138
1-[(Z)-6-(iodomethyl)-2-methyldodec-2-enyl]-4-methylpiperazine
CID 170054353
1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine
CID 146877130
lithium 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine
CID 156682915
4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine
CID 154986326
2,6-dimethyltetradeca-2,6-diene
CID 57189781
(E)-9-methylnonadec-9-ene
CID 14783585
4-methylhexadec-4-ene
CID 174447790
6-methyldocos-6-ene
CID 629460
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine?
The IUPAC name of 1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine (CID 155617676) is 1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine is CCCCC/C=C(/C)CC/C=C(\C)CN1CCN(C)CC1.
What is the InChIKey of 1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine?
The InChIKey is ZHDGFQNQVQETHM-LLVOSQLVSA-N. The full InChI is InChI=1S/C19H36N2/c1-5-6-7-8-10-18(2)11-9-12-19(3)17-21-15-13-20(4)14-16-21/h10,12H,5-9,11,13-17H2,1-4H3/b18-10-,19-12+.
What are the key properties of 1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine?
1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine has a molecular weight of 292.51 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine is sourced from PubChem (CID 155617676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).