1-[(3E)-hexa-3,5-dien-3-yl]piperazine

C10H18N2 — CID 144808448

IUPAC1-[(3E)-hexa-3,5-dien-3-yl]piperazine
SMILESC=C/C=C(\CC)N1CCNCC1
InChIInChI=1S/C10H18N2/c1-3-5-10(4-2)12-8-6-11-7-9-12/h3,5,11H,1,4,6-9H2,2H3/b10-5+
InChIKeyYKZITJAQIIVGQJ-BJMVGYQFSA-N
MW166.27 g/mol
LogP1.37
Rot. Bonds3

About 1-[(3E)-hexa-3,5-dien-3-yl]piperazine

1-[(3E)-hexa-3,5-dien-3-yl]piperazine (PubChem CID 144808448) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-[(3E)-hexa-3,5-dien-3-yl]piperazine.

Molecular Properties

Compound Name1-[(3E)-hexa-3,5-dien-3-yl]piperazine
PubChem CID144808448
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-[(3E)-hexa-3,5-dien-3-yl]piperazine
SMILESC=C/C=C(\CC)N1CCNCC1
InChIInChI=1S/C10H18N2/c1-3-5-10(4-2)12-8-6-11-7-9-12/h3,5,11H,1,4,6-9H2,2H3/b10-5+
InChIKeyYKZITJAQIIVGQJ-BJMVGYQFSA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methylpenta-1,3-diene;1-propylpiperazine
CID 142068164
(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine
CID 134406292
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine
CID 143059100
ethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide
CID 168939199
1-[(E)-pent-2-en-3-yl]azetidine
CID 5463543
1-[(2E)-penta-2,4-dien-2-yl]oxy-3-piperazin-1-ylpropan-2-ol
CID 145119463
ethyl piperazine-1-carboxylate;formyl chloride
CID 174617176
2-ethyl-2-hydroxy-1-piperazin-1-ylbutan-1-one
CID 142001842
3,3-diethylhex-5-enyl piperazine-1-carboxylate
CID 129160317
ethene;1-piperazin-1-ylethanone
CID 145071339
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 43603133
1-hexa-1,3,5-trien-3-yl-3-methylpiperazine
CID 123835356

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-hexa-3,5-dien-3-yl]piperazine?
The IUPAC name of 1-[(3E)-hexa-3,5-dien-3-yl]piperazine (CID 144808448) is 1-[(3E)-hexa-3,5-dien-3-yl]piperazine.
What is the SMILES notation for 1-[(3E)-hexa-3,5-dien-3-yl]piperazine?
The canonical SMILES for 1-[(3E)-hexa-3,5-dien-3-yl]piperazine is C=C/C=C(\CC)N1CCNCC1.
What is the InChIKey of 1-[(3E)-hexa-3,5-dien-3-yl]piperazine?
The InChIKey is YKZITJAQIIVGQJ-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-5-10(4-2)12-8-6-11-7-9-12/h3,5,11H,1,4,6-9H2,2H3/b10-5+.
What are the key properties of 1-[(3E)-hexa-3,5-dien-3-yl]piperazine?
1-[(3E)-hexa-3,5-dien-3-yl]piperazine has a molecular weight of 166.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-hexa-3,5-dien-3-yl]piperazine is sourced from PubChem (CID 144808448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).