1-[(4E)-5,6-dichloro-3-methylidenehepta-4,6-dienyl]-4-methylpiperazine

C13H20Cl2N2 — CID 144697900

IUPAC1-[(4E)-5,6-dichloro-3-methylidenehepta-4,6-dienyl]-4-methylpiperazine
SMILESC=C(/C=C(/Cl)C(=C)Cl)CCN1CCN(C)CC1
InChIInChI=1S/C13H20Cl2N2/c1-11(10-13(15)12(2)14)4-5-17-8-6-16(3)7-9-17/h10H,1-2,4-9H2,3H3/b13-10+
InChIKeyGOQJWFUEOQEIDE-JLHYYAGUSA-N
MW275.22 g/mol
LogP3.06
Rot. Bonds5

About 1-[(4E)-5,6-dichloro-3-methylidenehepta-4,6-dienyl]-4-methylpiperazine

1-[(4E)-5,6-dichloro-3-methylidenehepta-4,6-dienyl]-4-methylpiperazine (PubChem CID 144697900) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is 1-[(4E)-5,6-dichloro-3-methylidenehepta-4,6-dienyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(4E)-5,6-dichloro-3-methylidenehepta-4,6-dienyl]-4-methylpiperazine
PubChem CID144697900
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC Name1-[(4E)-5,6-dichloro-3-methylidenehepta-4,6-dienyl]-4-methylpiperazine
SMILESC=C(/C=C(/Cl)C(=C)Cl)CCN1CCN(C)CC1
InChIInChI=1S/C13H20Cl2N2/c1-11(10-13(15)12(2)14)4-5-17-8-6-16(3)7-9-17/h10H,1-2,4-9H2,3H3/b13-10+
InChIKeyGOQJWFUEOQEIDE-JLHYYAGUSA-N
XLogP3.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 28830199
CID 58998076
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Frequently Asked Questions

What is the IUPAC name of 1-[(4E)-5,6-dichloro-3-methylidenehepta-4,6-dienyl]-4-methylpiperazine?
The IUPAC name of 1-[(4E)-5,6-dichloro-3-methylidenehepta-4,6-dienyl]-4-methylpiperazine (CID 144697900) is 1-[(4E)-5,6-dichloro-3-methylidenehepta-4,6-dienyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(4E)-5,6-dichloro-3-methylidenehepta-4,6-dienyl]-4-methylpiperazine?
The canonical SMILES for 1-[(4E)-5,6-dichloro-3-methylidenehepta-4,6-dienyl]-4-methylpiperazine is C=C(/C=C(/Cl)C(=C)Cl)CCN1CCN(C)CC1.
What is the InChIKey of 1-[(4E)-5,6-dichloro-3-methylidenehepta-4,6-dienyl]-4-methylpiperazine?
The InChIKey is GOQJWFUEOQEIDE-JLHYYAGUSA-N. The full InChI is InChI=1S/C13H20Cl2N2/c1-11(10-13(15)12(2)14)4-5-17-8-6-16(3)7-9-17/h10H,1-2,4-9H2,3H3/b13-10+.
What are the key properties of 1-[(4E)-5,6-dichloro-3-methylidenehepta-4,6-dienyl]-4-methylpiperazine?
1-[(4E)-5,6-dichloro-3-methylidenehepta-4,6-dienyl]-4-methylpiperazine has a molecular weight of 275.22 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E)-5,6-dichloro-3-methylidenehepta-4,6-dienyl]-4-methylpiperazine is sourced from PubChem (CID 144697900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).