1-[(3E,5E)-6-methylocta-1,3,5-trien-3-yl]piperazine

C13H22N2 — CID 166971066

IUPAC1-[(3E,5E)-6-methylocta-1,3,5-trien-3-yl]piperazine
SMILESC=C/C(=C\C=C(/C)CC)N1CCNCC1
InChIInChI=1S/C13H22N2/c1-4-12(3)6-7-13(5-2)15-10-8-14-9-11-15/h5-7,14H,2,4,8-11H2,1,3H3/b12-6+,13-7+
InChIKeyGQQKBMBQCUUHQE-PWHKKFIBSA-N
MW206.33 g/mol
LogP2.32
Rot. Bonds4

About 1-[(3E,5E)-6-methylocta-1,3,5-trien-3-yl]piperazine

1-[(3E,5E)-6-methylocta-1,3,5-trien-3-yl]piperazine (PubChem CID 166971066) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-[(3E,5E)-6-methylocta-1,3,5-trien-3-yl]piperazine.

Molecular Properties

Compound Name1-[(3E,5E)-6-methylocta-1,3,5-trien-3-yl]piperazine
PubChem CID166971066
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-[(3E,5E)-6-methylocta-1,3,5-trien-3-yl]piperazine
SMILESC=C/C(=C\C=C(/C)CC)N1CCNCC1
InChIInChI=1S/C13H22N2/c1-4-12(3)6-7-13(5-2)15-10-8-14-9-11-15/h5-7,14H,2,4,8-11H2,1,3H3/b12-6+,13-7+
InChIKeyGQQKBMBQCUUHQE-PWHKKFIBSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5E)-6-methylocta-1,3,5-trien-3-yl]piperazine?
The IUPAC name of 1-[(3E,5E)-6-methylocta-1,3,5-trien-3-yl]piperazine (CID 166971066) is 1-[(3E,5E)-6-methylocta-1,3,5-trien-3-yl]piperazine.
What is the SMILES notation for 1-[(3E,5E)-6-methylocta-1,3,5-trien-3-yl]piperazine?
The canonical SMILES for 1-[(3E,5E)-6-methylocta-1,3,5-trien-3-yl]piperazine is C=C/C(=C\C=C(/C)CC)N1CCNCC1.
What is the InChIKey of 1-[(3E,5E)-6-methylocta-1,3,5-trien-3-yl]piperazine?
The InChIKey is GQQKBMBQCUUHQE-PWHKKFIBSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-12(3)6-7-13(5-2)15-10-8-14-9-11-15/h5-7,14H,2,4,8-11H2,1,3H3/b12-6+,13-7+.
What are the key properties of 1-[(3E,5E)-6-methylocta-1,3,5-trien-3-yl]piperazine?
1-[(3E,5E)-6-methylocta-1,3,5-trien-3-yl]piperazine has a molecular weight of 206.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5E)-6-methylocta-1,3,5-trien-3-yl]piperazine is sourced from PubChem (CID 166971066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).