1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine

C12H22N2O — CID 145119798

IUPAC1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine
SMILESC=C/C=C(\C)OCCCN1CCNCC1
InChIInChI=1S/C12H22N2O/c1-3-5-12(2)15-11-4-8-14-9-6-13-7-10-14/h3,5,13H,1,4,6-11H2,2H3/b12-5+
InChIKeyYUZLNRNRXHTQEE-LFYBBSHMSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds6

About 1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine

1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine (PubChem CID 145119798) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine.

Molecular Properties

Compound Name1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine
PubChem CID145119798
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine
SMILESC=C/C=C(\C)OCCCN1CCNCC1
InChIInChI=1S/C12H22N2O/c1-3-5-12(2)15-11-4-8-14-9-6-13-7-10-14/h3,5,13H,1,4,6-11H2,2H3/b12-5+
InChIKeyYUZLNRNRXHTQEE-LFYBBSHMSA-N
XLogP1.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine?
The IUPAC name of 1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine (CID 145119798) is 1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine.
What is the SMILES notation for 1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine?
The canonical SMILES for 1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine is C=C/C=C(\C)OCCCN1CCNCC1.
What is the InChIKey of 1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine?
The InChIKey is YUZLNRNRXHTQEE-LFYBBSHMSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-5-12(2)15-11-4-8-14-9-6-13-7-10-14/h3,5,13H,1,4,6-11H2,2H3/b12-5+.
What are the key properties of 1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine?
1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine has a molecular weight of 210.32 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine is sourced from PubChem (CID 145119798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).