1-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]ethanone

C12H20N2O — CID 144786751

IUPAC1-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]ethanone
SMILESC/C=C\C(=C/C)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/b6-4-,12-5+
InChIKeyRMEXNJXOJAQCRM-GLNLJRCCSA-N
MW208.31 g/mol
LogP1.63
Rot. Bonds2

About 1-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]ethanone

1-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]ethanone (PubChem CID 144786751) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]ethanone
PubChem CID144786751
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]ethanone
SMILESC/C=C\C(=C/C)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/b6-4-,12-5+
InChIKeyRMEXNJXOJAQCRM-GLNLJRCCSA-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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Related Compounds

1-[4-[(2E,4Z,6E)-7-iodohepta-2,4,6-trien-3-yl]piperazin-1-yl]ethanone
CID 142187098
acetaldehyde;1-pyrrolidin-1-ylethanone
CID 144643682
1-(4-methylpiperazin-1-yl)ethanone
CID 550758
N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone
CID 160870034
1-(azetidin-1-yl)ethanone
CID 14061673
N-but-2-enoylaziridine-1-carboxamide
CID 175035959
1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine
CID 176760810
[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone
CID 156514453
1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one
CID 110603330
1-(azonan-1-yl)but-2-en-1-one
CID 174056806
pent-3-en-2-one
CID 12248
[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium
CID 7023643

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]ethanone (CID 144786751) is 1-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]ethanone is C/C=C\C(=C/C)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]ethanone?
The InChIKey is RMEXNJXOJAQCRM-GLNLJRCCSA-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/b6-4-,12-5+.
What are the key properties of 1-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]ethanone?
1-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-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-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 144786751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).