1-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]piperazine

C11H16Cl2N2 — CID 89117776

IUPAC1-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]piperazine
SMILESC=C/C(Cl)=C(C(\Cl)=C/C)/N1CCNCC1
InChIInChI=1S/C11H16Cl2N2/c1-3-9(12)11(10(13)4-2)15-7-5-14-6-8-15/h3-4,14H,1,5-8H2,2H3/b10-4+,11-9-
InChIKeyDTFIZDKLNJDNLX-CEOLGQRUSA-N
MW247.17 g/mol
LogP2.67
Rot. Bonds3

About 1-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]piperazine

1-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]piperazine (PubChem CID 89117776) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 1-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]piperazine.

Molecular Properties

Compound Name1-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]piperazine
PubChem CID89117776
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name1-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]piperazine
SMILESC=C/C(Cl)=C(C(\Cl)=C/C)/N1CCNCC1
InChIInChI=1S/C11H16Cl2N2/c1-3-9(12)11(10(13)4-2)15-7-5-14-6-8-15/h3-4,14H,1,5-8H2,2H3/b10-4+,11-9-
InChIKeyDTFIZDKLNJDNLX-CEOLGQRUSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.67
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-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]piperazine?
The IUPAC name of 1-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]piperazine (CID 89117776) is 1-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]piperazine.
What is the SMILES notation for 1-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]piperazine?
The canonical SMILES for 1-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]piperazine is C=C/C(Cl)=C(C(\Cl)=C/C)/N1CCNCC1.
What is the InChIKey of 1-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]piperazine?
The InChIKey is DTFIZDKLNJDNLX-CEOLGQRUSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c1-3-9(12)11(10(13)4-2)15-7-5-14-6-8-15/h3-4,14H,1,5-8H2,2H3/b10-4+,11-9-.
What are the key properties of 1-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]piperazine?
1-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]piperazine has a molecular weight of 247.17 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]piperazine is sourced from PubChem (CID 89117776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).