1-[(3Z,6E)-6-methoxyocta-3,6-dienyl]piperazine

C13H24N2O — CID 142202949

IUPAC1-[(3Z,6E)-6-methoxyocta-3,6-dienyl]piperazine
SMILESC/C=C(\C/C=C\CCN1CCNCC1)OC
InChIInChI=1S/C13H24N2O/c1-3-13(16-2)7-5-4-6-10-15-11-8-14-9-12-15/h3-5,14H,6-12H2,1-2H3/b5-4-,13-3+
InChIKeyGWEXIHWMDOYGRM-BNXXKACXSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds6

About 1-[(3Z,6E)-6-methoxyocta-3,6-dienyl]piperazine

1-[(3Z,6E)-6-methoxyocta-3,6-dienyl]piperazine (PubChem CID 142202949) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[(3Z,6E)-6-methoxyocta-3,6-dienyl]piperazine.

Molecular Properties

Compound Name1-[(3Z,6E)-6-methoxyocta-3,6-dienyl]piperazine
PubChem CID142202949
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[(3Z,6E)-6-methoxyocta-3,6-dienyl]piperazine
SMILESC/C=C(\C/C=C\CCN1CCNCC1)OC
InChIInChI=1S/C13H24N2O/c1-3-13(16-2)7-5-4-6-10-15-11-8-14-9-12-15/h3-5,14H,6-12H2,1-2H3/b5-4-,13-3+
InChIKeyGWEXIHWMDOYGRM-BNXXKACXSA-N
XLogP1.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pyrilamine Birch
CID 91693893
1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine
CID 129231954
1-(4-Methoxycyclohepta-1,3,6-trien-1-yl)piperazine
CID 142202921
1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine
CID 142202958
N'-ethyl-N-methylethane-1,2-diamine;1-methoxycyclohepta-1,3,5-triene
CID 142202961
1-[(E)-2-methoxypent-2-enyl]piperazine
CID 143703301
(Z)-6-ethoxy-N-ethyl-N-(3-piperazin-1-ylpropyl)hex-3-en-1-amine
CID 144085266
1-[(Z)-2-methoxypent-2-enyl]piperazine
CID 144961828
1-[(E,3R)-5-methoxy-3-methylhex-4-enyl]piperazine
CID 173862653
1-[2-(2,3-Dihydrofuran-5-yl)ethyl]piperazine
CID 84022555
1-[(Z)-5-methoxypent-2-enyl]piperazine
CID 117269258

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z,6E)-6-methoxyocta-3,6-dienyl]piperazine?
The IUPAC name of 1-[(3Z,6E)-6-methoxyocta-3,6-dienyl]piperazine (CID 142202949) is 1-[(3Z,6E)-6-methoxyocta-3,6-dienyl]piperazine.
What is the SMILES notation for 1-[(3Z,6E)-6-methoxyocta-3,6-dienyl]piperazine?
The canonical SMILES for 1-[(3Z,6E)-6-methoxyocta-3,6-dienyl]piperazine is C/C=C(\C/C=C\CCN1CCNCC1)OC.
What is the InChIKey of 1-[(3Z,6E)-6-methoxyocta-3,6-dienyl]piperazine?
The InChIKey is GWEXIHWMDOYGRM-BNXXKACXSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-13(16-2)7-5-4-6-10-15-11-8-14-9-12-15/h3-5,14H,6-12H2,1-2H3/b5-4-,13-3+.
What are the key properties of 1-[(3Z,6E)-6-methoxyocta-3,6-dienyl]piperazine?
1-[(3Z,6E)-6-methoxyocta-3,6-dienyl]piperazine has a molecular weight of 224.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,6E)-6-methoxyocta-3,6-dienyl]piperazine is sourced from PubChem (CID 142202949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).