1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperazine

C14H24N2O2 — CID 153398654

IUPAC1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperazine
SMILESC=C/C=C\C(=C)OCCOCCN1CCNCC1
InChIInChI=1S/C14H24N2O2/c1-3-4-5-14(2)18-13-12-17-11-10-16-8-6-15-7-9-16/h3-5,15H,1-2,6-13H2/b5-4-
InChIKeyAAALOJSRWLZMHT-PLNGDYQASA-N
MW252.36 g/mol
LogP1.18
Rot. Bonds9

About 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperazine

1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperazine (PubChem CID 153398654) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperazine
PubChem CID153398654
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperazine
SMILESC=C/C=C\C(=C)OCCOCCN1CCNCC1
InChIInChI=1S/C14H24N2O2/c1-3-4-5-14(2)18-13-12-17-11-10-16-8-6-15-7-9-16/h3-5,15H,1-2,6-13H2/b5-4-
InChIKeyAAALOJSRWLZMHT-PLNGDYQASA-N
XLogP1.18
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(2-Penta-1,3-dien-2-yloxyethyl)piperazine
CID 123497095
1-[2-(2-Prop-2-enoxyethoxy)ethyl]piperazine
CID 156866527
2-[[(3Z,5Z)-4-ethoxyhepta-1,3,5-trien-3-yl]oxymethyl]morpholine
CID 170763553

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperazine?
The IUPAC name of 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperazine (CID 153398654) is 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperazine.
What is the SMILES notation for 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperazine?
The canonical SMILES for 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperazine is C=C/C=C\C(=C)OCCOCCN1CCNCC1.
What is the InChIKey of 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperazine?
The InChIKey is AAALOJSRWLZMHT-PLNGDYQASA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-4-5-14(2)18-13-12-17-11-10-16-8-6-15-7-9-16/h3-5,15H,1-2,6-13H2/b5-4-.
What are the key properties of 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperazine?
1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperazine has a molecular weight of 252.36 g/mol, XLogP of 1.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperazine is sourced from PubChem (CID 153398654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).