1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine

C14H24N2O — CID 143382290

IUPAC1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine
SMILESC=C/C=C(C(=C/C)\OC(C)C)/N1CCNCC1
InChIInChI=1S/C14H24N2O/c1-5-7-13(14(6-2)17-12(3)4)16-10-8-15-9-11-16/h5-7,12,15H,1,8-11H2,2-4H3/b13-7+,14-6+
InChIKeyQVNVJAMTOBHJQD-CAZMDNNUSA-N
MW236.36 g/mol
LogP2.29
Rot. Bonds5

About 1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine

1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine (PubChem CID 143382290) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine.

Molecular Properties

Compound Name1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine
PubChem CID143382290
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine
SMILESC=C/C=C(C(=C/C)\OC(C)C)/N1CCNCC1
InChIInChI=1S/C14H24N2O/c1-5-7-13(14(6-2)17-12(3)4)16-10-8-15-9-11-16/h5-7,12,15H,1,8-11H2,2-4H3/b13-7+,14-6+
InChIKeyQVNVJAMTOBHJQD-CAZMDNNUSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.29
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-(2H-pyran-5-yl)piperazine
CID 22461532
5-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 66936530
1-methylpiperazine;2H-pyran-4-amine
CID 68550599
2-[(2Z)-4-piperazin-1-yl-1-propan-2-yloxypenta-2,4-dien-2-yl]guanidine
CID 89250336
1-(2-Penta-1,3-dien-2-yloxyethyl)piperazine
CID 123497095
1-(4-Methoxyhexa-2,4-dien-3-yl)piperazine
CID 123867482
1-(5-Methoxyhexa-1,3,5-trien-3-yl)piperazine
CID 123992968
1-[(3E)-2-cyclobutyloxyhexa-1,3,5-trien-3-yl]piperazine
CID 129235280
(3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine
CID 130336935
1-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperazine
CID 141788352
[5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazin-2-yl]methanamine
CID 141967154
(2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine
CID 142054832

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine?
The IUPAC name of 1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine (CID 143382290) is 1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine.
What is the SMILES notation for 1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine?
The canonical SMILES for 1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine is C=C/C=C(C(=C/C)\OC(C)C)/N1CCNCC1.
What is the InChIKey of 1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine?
The InChIKey is QVNVJAMTOBHJQD-CAZMDNNUSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-7-13(14(6-2)17-12(3)4)16-10-8-15-9-11-16/h5-7,12,15H,1,8-11H2,2-4H3/b13-7+,14-6+.
What are the key properties of 1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine?
1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine has a molecular weight of 236.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine is sourced from PubChem (CID 143382290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).