1-hexa-1,3,5-trien-3-ylpiperazine

C10H16N2 — CID 123335605

IUPAC1-hexa-1,3,5-trien-3-ylpiperazine
SMILESC=CC=C(C=C)N1CCNCC1
InChIInChI=1S/C10H16N2/c1-3-5-10(4-2)12-8-6-11-7-9-12/h3-5,11H,1-2,6-9H2
InChIKeyAMAFGPNCDJAYFR-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.15
Rot. Bonds3

About 1-hexa-1,3,5-trien-3-ylpiperazine

1-hexa-1,3,5-trien-3-ylpiperazine (PubChem CID 123335605) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-hexa-1,3,5-trien-3-ylpiperazine.

Molecular Properties

Compound Name1-hexa-1,3,5-trien-3-ylpiperazine
PubChem CID123335605
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-hexa-1,3,5-trien-3-ylpiperazine
SMILESC=CC=C(C=C)N1CCNCC1
InChIInChI=1S/C10H16N2/c1-3-5-10(4-2)12-8-6-11-7-9-12/h3-5,11H,1-2,6-9H2
InChIKeyAMAFGPNCDJAYFR-UHFFFAOYSA-N
XLogP1.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-hexa-1,3,5-trien-3-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,10-Diazoniatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene
CID 16760137
1-(4-Fluorohexa-2,4-dien-3-yl)piperazine
CID 123849712
(2S)-1-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-2-methylpiperazine
CID 129212975
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine
CID 142067409
(3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine
CID 143054123
N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine
CID 143191827
N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 143846292
1-(3-Fluoro-1,2-dihydropyridin-4-yl)-4-methylpiperazine
CID 174193896
1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine
CID 175963246
1-(6-fluoro-1-methyl-2H-pyridin-5-yl)piperazine
CID 176689340
1-[(3Z)-3,4,5-trifluorohexa-1,3,5-trien-2-yl]piperazine
CID 177171535
N'-ethyl-N'-[(2Z,4Z)-2-fluorohepta-2,4,6-trien-3-yl]-N-methylethane-1,2-diamine
CID 142272191

Frequently Asked Questions

What is the IUPAC name of 1-hexa-1,3,5-trien-3-ylpiperazine?
The IUPAC name of 1-hexa-1,3,5-trien-3-ylpiperazine (CID 123335605) is 1-hexa-1,3,5-trien-3-ylpiperazine.
What is the SMILES notation for 1-hexa-1,3,5-trien-3-ylpiperazine?
The canonical SMILES for 1-hexa-1,3,5-trien-3-ylpiperazine is C=CC=C(C=C)N1CCNCC1.
What is the InChIKey of 1-hexa-1,3,5-trien-3-ylpiperazine?
The InChIKey is AMAFGPNCDJAYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-5-10(4-2)12-8-6-11-7-9-12/h3-5,11H,1-2,6-9H2.
What are the key properties of 1-hexa-1,3,5-trien-3-ylpiperazine?
1-hexa-1,3,5-trien-3-ylpiperazine has a molecular weight of 164.25 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexa-1,3,5-trien-3-ylpiperazine is sourced from PubChem (CID 123335605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).