1-[(3E)-2-cyclobutyloxyhexa-1,3,5-trien-3-yl]piperazine

C14H22N2O — CID 129235280

IUPAC1-[(3E)-2-cyclobutyloxyhexa-1,3,5-trien-3-yl]piperazine
SMILESC=C/C=C(\C(=C)OC1CCC1)N1CCNCC1
InChIInChI=1S/C14H22N2O/c1-3-5-14(16-10-8-15-9-11-16)12(2)17-13-6-4-7-13/h3,5,13,15H,1-2,4,6-11H2/b14-5+
InChIKeyIQMQKIUCRLSZPZ-LHHJGKSTSA-N
MW234.34 g/mol
LogP2.04
Rot. Bonds5

About 1-[(3E)-2-cyclobutyloxyhexa-1,3,5-trien-3-yl]piperazine

1-[(3E)-2-cyclobutyloxyhexa-1,3,5-trien-3-yl]piperazine (PubChem CID 129235280) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(3E)-2-cyclobutyloxyhexa-1,3,5-trien-3-yl]piperazine.

Molecular Properties

Compound Name1-[(3E)-2-cyclobutyloxyhexa-1,3,5-trien-3-yl]piperazine
PubChem CID129235280
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[(3E)-2-cyclobutyloxyhexa-1,3,5-trien-3-yl]piperazine
SMILESC=C/C=C(\C(=C)OC1CCC1)N1CCNCC1
InChIInChI=1S/C14H22N2O/c1-3-5-14(16-10-8-15-9-11-16)12(2)17-13-6-4-7-13/h3,5,13,15H,1-2,4,6-11H2/b14-5+
InChIKeyIQMQKIUCRLSZPZ-LHHJGKSTSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3Z,5Z)-4-propan-2-yloxyhepta-1,3,5-trien-3-yl]piperazine
CID 143225680
1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine
CID 143382290
(3E)-2-methylidene-3-prop-2-enylidenemorpholine
CID 156182893
(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine
CID 145202706

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-2-cyclobutyloxyhexa-1,3,5-trien-3-yl]piperazine?
The IUPAC name of 1-[(3E)-2-cyclobutyloxyhexa-1,3,5-trien-3-yl]piperazine (CID 129235280) is 1-[(3E)-2-cyclobutyloxyhexa-1,3,5-trien-3-yl]piperazine.
What is the SMILES notation for 1-[(3E)-2-cyclobutyloxyhexa-1,3,5-trien-3-yl]piperazine?
The canonical SMILES for 1-[(3E)-2-cyclobutyloxyhexa-1,3,5-trien-3-yl]piperazine is C=C/C=C(\C(=C)OC1CCC1)N1CCNCC1.
What is the InChIKey of 1-[(3E)-2-cyclobutyloxyhexa-1,3,5-trien-3-yl]piperazine?
The InChIKey is IQMQKIUCRLSZPZ-LHHJGKSTSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-5-14(16-10-8-15-9-11-16)12(2)17-13-6-4-7-13/h3,5,13,15H,1-2,4,6-11H2/b14-5+.
What are the key properties of 1-[(3E)-2-cyclobutyloxyhexa-1,3,5-trien-3-yl]piperazine?
1-[(3E)-2-cyclobutyloxyhexa-1,3,5-trien-3-yl]piperazine has a molecular weight of 234.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-2-cyclobutyloxyhexa-1,3,5-trien-3-yl]piperazine is sourced from PubChem (CID 129235280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).