1-ethyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine

C13H22N2 — CID 143417407

IUPAC1-ethyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine
SMILESC=C/C=C\C(=C)CN1CCN(CC)CC1
InChIInChI=1S/C13H22N2/c1-4-6-7-13(3)12-15-10-8-14(5-2)9-11-15/h4,6-7H,1,3,5,8-12H2,2H3/b7-6-
InChIKeyMRRJLFDOHVSIAX-SREVYHEPSA-N
MW206.33 g/mol
LogP1.92
Rot. Bonds5

About 1-ethyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine

1-ethyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine (PubChem CID 143417407) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-ethyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine
PubChem CID143417407
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-ethyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine
SMILESC=C/C=C\C(=C)CN1CCN(CC)CC1
InChIInChI=1S/C13H22N2/c1-4-6-7-13(3)12-15-10-8-14(5-2)9-11-15/h4,6-7H,1,3,5,8-12H2,2H3/b7-6-
InChIKeyMRRJLFDOHVSIAX-SREVYHEPSA-N
XLogP1.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]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-ethyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine?
The IUPAC name of 1-ethyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine (CID 143417407) is 1-ethyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine is C=C/C=C\C(=C)CN1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine?
The InChIKey is MRRJLFDOHVSIAX-SREVYHEPSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-6-7-13(3)12-15-10-8-14(5-2)9-11-15/h4,6-7H,1,3,5,8-12H2,2H3/b7-6-.
What are the key properties of 1-ethyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine?
1-ethyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine has a molecular weight of 206.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine is sourced from PubChem (CID 143417407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).