1-[4-[(2Z,4Z,6E)-octa-2,4,6-trien-3-yl]piperazin-1-yl]ethanone

C14H22N2O — CID 134277667

IUPAC1-[4-[(2Z,4Z,6E)-octa-2,4,6-trien-3-yl]piperazin-1-yl]ethanone
SMILESC/C=C(/C=C\C=C\C)N1CCN(C(C)=O)CC1
InChIInChI=1S/C14H22N2O/c1-4-6-7-8-14(5-2)16-11-9-15(10-12-16)13(3)17/h4-8H,9-12H2,1-3H3/b6-4+,8-7-,14-5-
InChIKeyZHENOCQBOIBEBI-XHMVUDIXSA-N
MW234.34 g/mol
LogP2.19
Rot. Bonds3

About 1-[4-[(2Z,4Z,6E)-octa-2,4,6-trien-3-yl]piperazin-1-yl]ethanone

1-[4-[(2Z,4Z,6E)-octa-2,4,6-trien-3-yl]piperazin-1-yl]ethanone (PubChem CID 134277667) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[4-[(2Z,4Z,6E)-octa-2,4,6-trien-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2Z,4Z,6E)-octa-2,4,6-trien-3-yl]piperazin-1-yl]ethanone
PubChem CID134277667
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[4-[(2Z,4Z,6E)-octa-2,4,6-trien-3-yl]piperazin-1-yl]ethanone
SMILESC/C=C(/C=C\C=C\C)N1CCN(C(C)=O)CC1
InChIInChI=1S/C14H22N2O/c1-4-6-7-8-14(5-2)16-11-9-15(10-12-16)13(3)17/h4-8H,9-12H2,1-3H3/b6-4+,8-7-,14-5-
InChIKeyZHENOCQBOIBEBI-XHMVUDIXSA-N
XLogP2.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
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-[4-[(2Z,4Z,6E)-octa-2,4,6-trien-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2Z,4Z,6E)-octa-2,4,6-trien-3-yl]piperazin-1-yl]ethanone (CID 134277667) is 1-[4-[(2Z,4Z,6E)-octa-2,4,6-trien-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2Z,4Z,6E)-octa-2,4,6-trien-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2Z,4Z,6E)-octa-2,4,6-trien-3-yl]piperazin-1-yl]ethanone is C/C=C(/C=C\C=C\C)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[(2Z,4Z,6E)-octa-2,4,6-trien-3-yl]piperazin-1-yl]ethanone?
The InChIKey is ZHENOCQBOIBEBI-XHMVUDIXSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-6-7-8-14(5-2)16-11-9-15(10-12-16)13(3)17/h4-8H,9-12H2,1-3H3/b6-4+,8-7-,14-5-.
What are the key properties of 1-[4-[(2Z,4Z,6E)-octa-2,4,6-trien-3-yl]piperazin-1-yl]ethanone?
1-[4-[(2Z,4Z,6E)-octa-2,4,6-trien-3-yl]piperazin-1-yl]ethanone has a molecular weight of 234.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2Z,4Z,6E)-octa-2,4,6-trien-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 134277667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).