1-[(2E)-penta-2,4-dien-2-yl]oxy-3-piperazin-1-ylpropan-2-ol

C12H22N2O2 — CID 145119463

IUPAC1-[(2E)-penta-2,4-dien-2-yl]oxy-3-piperazin-1-ylpropan-2-ol
SMILESC=C/C=C(\C)OCC(O)CN1CCNCC1
InChIInChI=1S/C12H22N2O2/c1-3-4-11(2)16-10-12(15)9-14-7-5-13-6-8-14/h3-4,12-13,15H,1,5-10H2,2H3/b11-4+
InChIKeyOAAOYUCUGHKJDZ-NYYWCZLTSA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds6

About 1-[(2E)-penta-2,4-dien-2-yl]oxy-3-piperazin-1-ylpropan-2-ol

1-[(2E)-penta-2,4-dien-2-yl]oxy-3-piperazin-1-ylpropan-2-ol (PubChem CID 145119463) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[(2E)-penta-2,4-dien-2-yl]oxy-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(2E)-penta-2,4-dien-2-yl]oxy-3-piperazin-1-ylpropan-2-ol
PubChem CID145119463
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[(2E)-penta-2,4-dien-2-yl]oxy-3-piperazin-1-ylpropan-2-ol
SMILESC=C/C=C(\C)OCC(O)CN1CCNCC1
InChIInChI=1S/C12H22N2O2/c1-3-4-11(2)16-10-12(15)9-14-7-5-13-6-8-14/h3-4,12-13,15H,1,5-10H2,2H3/b11-4+
InChIKeyOAAOYUCUGHKJDZ-NYYWCZLTSA-N
XLogP0.36
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2E)-penta-2,4-dien-2-yl]oxy-3-piperazin-1-ylpropan-2-ol 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

[2-hydroxy-3-(1,4,8,11-tetrazacyclotetradec-1-yl)propyl] 2-methylprop-2-enoate
CID 10831185
(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 178200129
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588
1-(methylamino)-3-piperazin-1-ylpropan-2-ol
CID 15255603
4-methylpenta-1,3-diene;1-propylpiperazine
CID 142068164
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
(2R)-1-cyclohexyloxy-3-piperazin-1-ylpropan-2-ol
CID 1132916
1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol
CID 65449830
1-(ethylamino)-3-piperazin-1-ylpropan-2-ol
CID 15255604
1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol
CID 83708214
1-piperazin-1-ylheptan-2-ol
CID 70501156
1-[(3E)-hexa-3,5-dien-3-yl]piperazine
CID 144808448

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-penta-2,4-dien-2-yl]oxy-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-[(2E)-penta-2,4-dien-2-yl]oxy-3-piperazin-1-ylpropan-2-ol (CID 145119463) is 1-[(2E)-penta-2,4-dien-2-yl]oxy-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(2E)-penta-2,4-dien-2-yl]oxy-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(2E)-penta-2,4-dien-2-yl]oxy-3-piperazin-1-ylpropan-2-ol is C=C/C=C(\C)OCC(O)CN1CCNCC1.
What is the InChIKey of 1-[(2E)-penta-2,4-dien-2-yl]oxy-3-piperazin-1-ylpropan-2-ol?
The InChIKey is OAAOYUCUGHKJDZ-NYYWCZLTSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-4-11(2)16-10-12(15)9-14-7-5-13-6-8-14/h3-4,12-13,15H,1,5-10H2,2H3/b11-4+.
What are the key properties of 1-[(2E)-penta-2,4-dien-2-yl]oxy-3-piperazin-1-ylpropan-2-ol?
1-[(2E)-penta-2,4-dien-2-yl]oxy-3-piperazin-1-ylpropan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-penta-2,4-dien-2-yl]oxy-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 145119463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).