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

C14H24N2 — CID 102091182

IUPAC1-[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]piperazine
SMILESC=C(/C=C/C1CCCCC1)N1CCNCC1
InChIInChI=1S/C14H24N2/c1-13(16-11-9-15-10-12-16)7-8-14-5-3-2-4-6-14/h7-8,14-15H,1-6,9-12H2/b8-7+
InChIKeySFFQLEZRCSLOMO-BQYQJAHWSA-N
MW220.36 g/mol
LogP2.54
Rot. Bonds3

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

1-[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]piperazine (PubChem CID 102091182) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]piperazine.

Molecular Properties

Compound Name1-[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]piperazine
PubChem CID102091182
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]piperazine
SMILESC=C(/C=C/C1CCCCC1)N1CCNCC1
InChIInChI=1S/C14H24N2/c1-13(16-11-9-15-10-12-16)7-8-14-5-3-2-4-6-14/h7-8,14-15H,1-6,9-12H2/b8-7+
InChIKeySFFQLEZRCSLOMO-BQYQJAHWSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]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-[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]piperazine?
The IUPAC name of 1-[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]piperazine (CID 102091182) is 1-[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]piperazine.
What is the SMILES notation for 1-[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]piperazine?
The canonical SMILES for 1-[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]piperazine is C=C(/C=C/C1CCCCC1)N1CCNCC1.
What is the InChIKey of 1-[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]piperazine?
The InChIKey is SFFQLEZRCSLOMO-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H24N2/c1-13(16-11-9-15-10-12-16)7-8-14-5-3-2-4-6-14/h7-8,14-15H,1-6,9-12H2/b8-7+.
What are the key properties of 1-[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]piperazine?
1-[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]piperazine has a molecular weight of 220.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]piperazine is sourced from PubChem (CID 102091182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).