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

C14H24N2O — CID 143225680

IUPAC1-[(3Z,5Z)-4-propan-2-yloxyhepta-1,3,5-trien-3-yl]piperazine
SMILESC=C/C(=C(\C=C/C)OC(C)C)N1CCNCC1
InChIInChI=1S/C14H24N2O/c1-5-7-14(17-12(3)4)13(6-2)16-10-8-15-9-11-16/h5-7,12,15H,2,8-11H2,1,3-4H3/b7-5-,14-13-
InChIKeyULTXEDHJAKIIKA-VKNIRWCISA-N
MW236.36 g/mol
LogP2.29
Rot. Bonds5

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

1-[(3Z,5Z)-4-propan-2-yloxyhepta-1,3,5-trien-3-yl]piperazine (PubChem CID 143225680) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(3Z,5Z)-4-propan-2-yloxyhepta-1,3,5-trien-3-yl]piperazine.

Molecular Properties

Compound Name1-[(3Z,5Z)-4-propan-2-yloxyhepta-1,3,5-trien-3-yl]piperazine
PubChem CID143225680
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[(3Z,5Z)-4-propan-2-yloxyhepta-1,3,5-trien-3-yl]piperazine
SMILESC=C/C(=C(\C=C/C)OC(C)C)N1CCNCC1
InChIInChI=1S/C14H24N2O/c1-5-7-14(17-12(3)4)13(6-2)16-10-8-15-9-11-16/h5-7,12,15H,2,8-11H2,1,3-4H3/b7-5-,14-13-
InChIKeyULTXEDHJAKIIKA-VKNIRWCISA-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
1-methylpiperazine;2H-pyran-4-amine
CID 68550599
(3R)-3-methyl-1-(2-propan-2-yloxy-1,2-dihydropyridin-4-yl)piperazine
CID 70278144
1-(2H-pyran-2-yl)piperazine
CID 70628051
1-(2-Ethoxycyclohexa-1,3-dien-1-yl)piperazine
CID 70790710
1-(5-Methoxyhexa-2,4-dien-3-yl)piperazine
CID 91072400
N'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 123324320
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
N'-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 129055643
1-[(3E)-2-cyclobutyloxyhexa-1,3,5-trien-3-yl]piperazine
CID 129235280

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z,5Z)-4-propan-2-yloxyhepta-1,3,5-trien-3-yl]piperazine?
The IUPAC name of 1-[(3Z,5Z)-4-propan-2-yloxyhepta-1,3,5-trien-3-yl]piperazine (CID 143225680) is 1-[(3Z,5Z)-4-propan-2-yloxyhepta-1,3,5-trien-3-yl]piperazine.
What is the SMILES notation for 1-[(3Z,5Z)-4-propan-2-yloxyhepta-1,3,5-trien-3-yl]piperazine?
The canonical SMILES for 1-[(3Z,5Z)-4-propan-2-yloxyhepta-1,3,5-trien-3-yl]piperazine is C=C/C(=C(\C=C/C)OC(C)C)N1CCNCC1.
What is the InChIKey of 1-[(3Z,5Z)-4-propan-2-yloxyhepta-1,3,5-trien-3-yl]piperazine?
The InChIKey is ULTXEDHJAKIIKA-VKNIRWCISA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-7-14(17-12(3)4)13(6-2)16-10-8-15-9-11-16/h5-7,12,15H,2,8-11H2,1,3-4H3/b7-5-,14-13-.
What are the key properties of 1-[(3Z,5Z)-4-propan-2-yloxyhepta-1,3,5-trien-3-yl]piperazine?
1-[(3Z,5Z)-4-propan-2-yloxyhepta-1,3,5-trien-3-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-[(3Z,5Z)-4-propan-2-yloxyhepta-1,3,5-trien-3-yl]piperazine is sourced from PubChem (CID 143225680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).