1-[2-[(2E,4Z)-2-ethenyl-1-phenylhexa-2,4-dienyl]sulfanylethyl]piperazine

C20H28N2S — CID 144698887

IUPAC1-[2-[(2E,4Z)-2-ethenyl-1-phenylhexa-2,4-dienyl]sulfanylethyl]piperazine
SMILESC=C/C(=C\C=C/C)C(SCCN1CCNCC1)c1ccccc1
InChIInChI=1S/C20H28N2S/c1-3-5-9-18(4-2)20(19-10-7-6-8-11-19)23-17-16-22-14-12-21-13-15-22/h3-11,20-21H,2,12-17H2,1H3/b5-3-,18-9+
InChIKeyRILWHHATACYGFY-HYKPSHSXSA-N
MW328.53 g/mol
LogP4.05
Rot. Bonds8

About 1-[2-[(2E,4Z)-2-ethenyl-1-phenylhexa-2,4-dienyl]sulfanylethyl]piperazine

1-[2-[(2E,4Z)-2-ethenyl-1-phenylhexa-2,4-dienyl]sulfanylethyl]piperazine (PubChem CID 144698887) has the molecular formula C20H28N2S and a molecular weight of 328.53 g/mol. Its IUPAC name is 1-[2-[(2E,4Z)-2-ethenyl-1-phenylhexa-2,4-dienyl]sulfanylethyl]piperazine.

Molecular Properties

Compound Name1-[2-[(2E,4Z)-2-ethenyl-1-phenylhexa-2,4-dienyl]sulfanylethyl]piperazine
PubChem CID144698887
Molecular FormulaC20H28N2S
Molecular Weight328.53 g/mol
Exact Mass328.20
IUPAC Name1-[2-[(2E,4Z)-2-ethenyl-1-phenylhexa-2,4-dienyl]sulfanylethyl]piperazine
SMILESC=C/C(=C\C=C/C)C(SCCN1CCNCC1)c1ccccc1
InChIInChI=1S/C20H28N2S/c1-3-5-9-18(4-2)20(19-10-7-6-8-11-19)23-17-16-22-14-12-21-13-15-22/h3-11,20-21H,2,12-17H2,1H3/b5-3-,18-9+
InChIKeyRILWHHATACYGFY-HYKPSHSXSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 144698876
1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine
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2-phenyl-N-(2-piperazin-1-ylethyl)pentanamide
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bis(1-(2-phenylethyl)piperazine);dihydrochloride
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CID 90094069
1-(3-phenoxypropyl)piperazine
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1-[(Z)-2-benzylbut-2-enyl]piperazine
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2E,4Z)-2-ethenyl-1-phenylhexa-2,4-dienyl]sulfanylethyl]piperazine?
The IUPAC name of 1-[2-[(2E,4Z)-2-ethenyl-1-phenylhexa-2,4-dienyl]sulfanylethyl]piperazine (CID 144698887) is 1-[2-[(2E,4Z)-2-ethenyl-1-phenylhexa-2,4-dienyl]sulfanylethyl]piperazine.
What is the SMILES notation for 1-[2-[(2E,4Z)-2-ethenyl-1-phenylhexa-2,4-dienyl]sulfanylethyl]piperazine?
The canonical SMILES for 1-[2-[(2E,4Z)-2-ethenyl-1-phenylhexa-2,4-dienyl]sulfanylethyl]piperazine is C=C/C(=C\C=C/C)C(SCCN1CCNCC1)c1ccccc1.
What is the InChIKey of 1-[2-[(2E,4Z)-2-ethenyl-1-phenylhexa-2,4-dienyl]sulfanylethyl]piperazine?
The InChIKey is RILWHHATACYGFY-HYKPSHSXSA-N. The full InChI is InChI=1S/C20H28N2S/c1-3-5-9-18(4-2)20(19-10-7-6-8-11-19)23-17-16-22-14-12-21-13-15-22/h3-11,20-21H,2,12-17H2,1H3/b5-3-,18-9+.
What are the key properties of 1-[2-[(2E,4Z)-2-ethenyl-1-phenylhexa-2,4-dienyl]sulfanylethyl]piperazine?
1-[2-[(2E,4Z)-2-ethenyl-1-phenylhexa-2,4-dienyl]sulfanylethyl]piperazine has a molecular weight of 328.53 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2E,4Z)-2-ethenyl-1-phenylhexa-2,4-dienyl]sulfanylethyl]piperazine is sourced from PubChem (CID 144698887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).