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

C14H26N2O — CID 143281075

IUPAC1-[(2E,4E)-3-propan-2-yloxyhepta-2,4-dien-4-yl]piperazine
SMILESC/C=C(OC(C)C)\C(=C/CC)N1CCNCC1
InChIInChI=1S/C14H26N2O/c1-5-7-13(14(6-2)17-12(3)4)16-10-8-15-9-11-16/h6-7,12,15H,5,8-11H2,1-4H3/b13-7+,14-6+
InChIKeyZXFKKUNRWQANNV-CAZMDNNUSA-N
MW238.38 g/mol
LogP2.51
Rot. Bonds5

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

1-[(2E,4E)-3-propan-2-yloxyhepta-2,4-dien-4-yl]piperazine (PubChem CID 143281075) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-[(2E,4E)-3-propan-2-yloxyhepta-2,4-dien-4-yl]piperazine.

Molecular Properties

Compound Name1-[(2E,4E)-3-propan-2-yloxyhepta-2,4-dien-4-yl]piperazine
PubChem CID143281075
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Name1-[(2E,4E)-3-propan-2-yloxyhepta-2,4-dien-4-yl]piperazine
SMILESC/C=C(OC(C)C)\C(=C/CC)N1CCNCC1
InChIInChI=1S/C14H26N2O/c1-5-7-13(14(6-2)17-12(3)4)16-10-8-15-9-11-16/h6-7,12,15H,5,8-11H2,1-4H3/b13-7+,14-6+
InChIKeyZXFKKUNRWQANNV-CAZMDNNUSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4E)-3-propan-2-yloxyhepta-2,4-dien-4-yl]piperazine?
The IUPAC name of 1-[(2E,4E)-3-propan-2-yloxyhepta-2,4-dien-4-yl]piperazine (CID 143281075) is 1-[(2E,4E)-3-propan-2-yloxyhepta-2,4-dien-4-yl]piperazine.
What is the SMILES notation for 1-[(2E,4E)-3-propan-2-yloxyhepta-2,4-dien-4-yl]piperazine?
The canonical SMILES for 1-[(2E,4E)-3-propan-2-yloxyhepta-2,4-dien-4-yl]piperazine is C/C=C(OC(C)C)\C(=C/CC)N1CCNCC1.
What is the InChIKey of 1-[(2E,4E)-3-propan-2-yloxyhepta-2,4-dien-4-yl]piperazine?
The InChIKey is ZXFKKUNRWQANNV-CAZMDNNUSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-7-13(14(6-2)17-12(3)4)16-10-8-15-9-11-16/h6-7,12,15H,5,8-11H2,1-4H3/b13-7+,14-6+.
What are the key properties of 1-[(2E,4E)-3-propan-2-yloxyhepta-2,4-dien-4-yl]piperazine?
1-[(2E,4E)-3-propan-2-yloxyhepta-2,4-dien-4-yl]piperazine has a molecular weight of 238.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E)-3-propan-2-yloxyhepta-2,4-dien-4-yl]piperazine is sourced from PubChem (CID 143281075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).