1-(4-hexa-2,4-dien-3-ylpiperazin-1-yl)ethanone

C12H20N2O — CID 123429031

IUPAC1-(4-hexa-2,4-dien-3-ylpiperazin-1-yl)ethanone
SMILESCC=CC(=CC)N1CCN(C(C)=O)CC1
InChIInChI=1S/C12H20N2O/c1-4-6-12(5-2)14-9-7-13(8-10-14)11(3)15/h4-6H,7-10H2,1-3H3
InChIKeyRMEXNJXOJAQCRM-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.63
Rot. Bonds2

About 1-(4-hexa-2,4-dien-3-ylpiperazin-1-yl)ethanone

1-(4-hexa-2,4-dien-3-ylpiperazin-1-yl)ethanone (PubChem CID 123429031) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(4-hexa-2,4-dien-3-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-hexa-2,4-dien-3-ylpiperazin-1-yl)ethanone
PubChem CID123429031
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-(4-hexa-2,4-dien-3-ylpiperazin-1-yl)ethanone
SMILESCC=CC(=CC)N1CCN(C(C)=O)CC1
InChIInChI=1S/C12H20N2O/c1-4-6-12(5-2)14-9-7-13(8-10-14)11(3)15/h4-6H,7-10H2,1-3H3
InChIKeyRMEXNJXOJAQCRM-UHFFFAOYSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.63
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-hexa-2,4-dien-3-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-hexa-2,4-dien-3-ylpiperazin-1-yl)ethanone (CID 123429031) is 1-(4-hexa-2,4-dien-3-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-hexa-2,4-dien-3-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-hexa-2,4-dien-3-ylpiperazin-1-yl)ethanone is CC=CC(=CC)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-hexa-2,4-dien-3-ylpiperazin-1-yl)ethanone?
The InChIKey is RMEXNJXOJAQCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-6-12(5-2)14-9-7-13(8-10-14)11(3)15/h4-6H,7-10H2,1-3H3.
What are the key properties of 1-(4-hexa-2,4-dien-3-ylpiperazin-1-yl)ethanone?
1-(4-hexa-2,4-dien-3-ylpiperazin-1-yl)ethanone has a molecular weight of 208.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexa-2,4-dien-3-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 123429031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).