1-[(2Z,3Z)-3,4-dichloro-2-ethylidenehexa-3,5-dienyl]piperazine

C12H18Cl2N2 — CID 89243092

IUPAC1-[(2Z,3Z)-3,4-dichloro-2-ethylidenehexa-3,5-dienyl]piperazine
SMILESC=C/C(Cl)=C(Cl)\C(=C/C)CN1CCNCC1
InChIInChI=1S/C12H18Cl2N2/c1-3-10(12(14)11(13)4-2)9-16-7-5-15-6-8-16/h3-4,15H,2,5-9H2,1H3/b10-3-,12-11-
InChIKeyYARYNVAGTYKKQO-PUMUCPATSA-N
MW261.20 g/mol
LogP2.71
Rot. Bonds4

About 1-[(2Z,3Z)-3,4-dichloro-2-ethylidenehexa-3,5-dienyl]piperazine

1-[(2Z,3Z)-3,4-dichloro-2-ethylidenehexa-3,5-dienyl]piperazine (PubChem CID 89243092) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 1-[(2Z,3Z)-3,4-dichloro-2-ethylidenehexa-3,5-dienyl]piperazine.

Molecular Properties

Compound Name1-[(2Z,3Z)-3,4-dichloro-2-ethylidenehexa-3,5-dienyl]piperazine
PubChem CID89243092
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name1-[(2Z,3Z)-3,4-dichloro-2-ethylidenehexa-3,5-dienyl]piperazine
SMILESC=C/C(Cl)=C(Cl)\C(=C/C)CN1CCNCC1
InChIInChI=1S/C12H18Cl2N2/c1-3-10(12(14)11(13)4-2)9-16-7-5-15-6-8-16/h3-4,15H,2,5-9H2,1H3/b10-3-,12-11-
InChIKeyYARYNVAGTYKKQO-PUMUCPATSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,3Z)-3,4-dichloro-2-ethylidenehexa-3,5-dienyl]piperazine?
The IUPAC name of 1-[(2Z,3Z)-3,4-dichloro-2-ethylidenehexa-3,5-dienyl]piperazine (CID 89243092) is 1-[(2Z,3Z)-3,4-dichloro-2-ethylidenehexa-3,5-dienyl]piperazine.
What is the SMILES notation for 1-[(2Z,3Z)-3,4-dichloro-2-ethylidenehexa-3,5-dienyl]piperazine?
The canonical SMILES for 1-[(2Z,3Z)-3,4-dichloro-2-ethylidenehexa-3,5-dienyl]piperazine is C=C/C(Cl)=C(Cl)\C(=C/C)CN1CCNCC1.
What is the InChIKey of 1-[(2Z,3Z)-3,4-dichloro-2-ethylidenehexa-3,5-dienyl]piperazine?
The InChIKey is YARYNVAGTYKKQO-PUMUCPATSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-3-10(12(14)11(13)4-2)9-16-7-5-15-6-8-16/h3-4,15H,2,5-9H2,1H3/b10-3-,12-11-.
What are the key properties of 1-[(2Z,3Z)-3,4-dichloro-2-ethylidenehexa-3,5-dienyl]piperazine?
1-[(2Z,3Z)-3,4-dichloro-2-ethylidenehexa-3,5-dienyl]piperazine has a molecular weight of 261.20 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,3Z)-3,4-dichloro-2-ethylidenehexa-3,5-dienyl]piperazine is sourced from PubChem (CID 89243092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).