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

C19H35ClN2 — CID 154986333

IUPAC1-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine
SMILESCCCCC/C=C(/CCl)CC/C=C(/C)CN1CCN(C)CC1
InChIInChI=1S/C19H35ClN2/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+
InChIKeyRARXVTARRULWNG-MXYCIJPUSA-N
MW326.96 g/mol
LogP4.71
Rot. Bonds10

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

1-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine (PubChem CID 154986333) has the molecular formula C19H35ClN2 and a molecular weight of 326.96 g/mol. Its IUPAC name is 1-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine
PubChem CID154986333
Molecular FormulaC19H35ClN2
Molecular Weight326.96 g/mol
Exact Mass326.25
IUPAC Name1-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine
SMILESCCCCC/C=C(/CCl)CC/C=C(/C)CN1CCN(C)CC1
InChIInChI=1S/C19H35ClN2/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+
InChIKeyRARXVTARRULWNG-MXYCIJPUSA-N
XLogP4.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.96
LogP ≤ 54.71
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine?
The IUPAC name of 1-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine (CID 154986333) is 1-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine is CCCCC/C=C(/CCl)CC/C=C(/C)CN1CCN(C)CC1.
What is the InChIKey of 1-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine?
The InChIKey is RARXVTARRULWNG-MXYCIJPUSA-N. The full InChI is InChI=1S/C19H35ClN2/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-(chloromethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine?
1-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine has a molecular weight of 326.96 g/mol, XLogP of 4.71, 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-(chloromethyl)-2-methyldodeca-2,6-dienyl]-4-methylpiperazine is sourced from PubChem (CID 154986333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).