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

C12H20N2O — CID 142202937

IUPAC1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazine
SMILESC=C/C(=C\C=C(/C)OC)N1CCNCC1
InChIInChI=1S/C12H20N2O/c1-4-12(6-5-11(2)15-3)14-9-7-13-8-10-14/h4-6,13H,1,7-10H2,2-3H3/b11-5+,12-6+
InChIKeyDMVIDXJRQANFEU-YDWXAUTNSA-N
MW208.30 g/mol
LogP1.51
Rot. Bonds4

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

1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazine (PubChem CID 142202937) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazine.

Molecular Properties

Compound Name1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazine
PubChem CID142202937
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazine
SMILESC=C/C(=C\C=C(/C)OC)N1CCNCC1
InChIInChI=1S/C12H20N2O/c1-4-12(6-5-11(2)15-3)14-9-7-13-8-10-14/h4-6,13H,1,7-10H2,2-3H3/b11-5+,12-6+
InChIKeyDMVIDXJRQANFEU-YDWXAUTNSA-N
XLogP1.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.51
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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Related Compounds

1-[2-(Difluoromethoxy)-4-fluorohexa-2,4-dien-3-yl]piperazine
CID 90729357
1-methylpiperazine;2H-pyran-4-amine
CID 68550599
(1E,3E)-4-N-[(Z)-2-(ethenylamino)but-2-enyl]-1-methoxy-4-N-propan-2-ylhexa-1,3,5-triene-1,4-diamine
CID 88265314
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-(5-Methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine
CID 123507334
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
(3S,5R)-1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-4-yl]piperidine-3,5-diamine
CID 129310447
1-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperazine
CID 141788352
1-[(2Z,4Z)-2-methoxyhepta-2,4-dien-6-yn-3-yl]piperazine
CID 141791660

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazine?
The IUPAC name of 1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazine (CID 142202937) is 1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazine.
What is the SMILES notation for 1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazine?
The canonical SMILES for 1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazine is C=C/C(=C\C=C(/C)OC)N1CCNCC1.
What is the InChIKey of 1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazine?
The InChIKey is DMVIDXJRQANFEU-YDWXAUTNSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-12(6-5-11(2)15-3)14-9-7-13-8-10-14/h4-6,13H,1,7-10H2,2-3H3/b11-5+,12-6+.
What are the key properties of 1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazine?
1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazine has a molecular weight of 208.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazine is sourced from PubChem (CID 142202937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).