1-[(2E,4E)-1-cyclobutyl-2-ethenyl-5-fluorohexa-2,4-dienyl]piperazine

C16H25FN2 — CID 166731681

IUPAC1-[(2E,4E)-1-cyclobutyl-2-ethenyl-5-fluorohexa-2,4-dienyl]piperazine
SMILESC=C/C(=C\C=C(/C)F)C(C1CCC1)N1CCNCC1
InChIInChI=1S/C16H25FN2/c1-3-14(8-7-13(2)17)16(15-5-4-6-15)19-11-9-18-10-12-19/h3,7-8,15-16,18H,1,4-6,9-12H2,2H3/b13-7+,14-8+
InChIKeyIFCBDOIOZSZJPQ-FNCQTZNRSA-N
MW264.39 g/mol
LogP3.05
Rot. Bonds5

About 1-[(2E,4E)-1-cyclobutyl-2-ethenyl-5-fluorohexa-2,4-dienyl]piperazine

1-[(2E,4E)-1-cyclobutyl-2-ethenyl-5-fluorohexa-2,4-dienyl]piperazine (PubChem CID 166731681) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[(2E,4E)-1-cyclobutyl-2-ethenyl-5-fluorohexa-2,4-dienyl]piperazine.

Molecular Properties

Compound Name1-[(2E,4E)-1-cyclobutyl-2-ethenyl-5-fluorohexa-2,4-dienyl]piperazine
PubChem CID166731681
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-[(2E,4E)-1-cyclobutyl-2-ethenyl-5-fluorohexa-2,4-dienyl]piperazine
SMILESC=C/C(=C\C=C(/C)F)C(C1CCC1)N1CCNCC1
InChIInChI=1S/C16H25FN2/c1-3-14(8-7-13(2)17)16(15-5-4-6-15)19-11-9-18-10-12-19/h3,7-8,15-16,18H,1,4-6,9-12H2,2H3/b13-7+,14-8+
InChIKeyIFCBDOIOZSZJPQ-FNCQTZNRSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2E,4E)-1-cyclobutyl-2-ethenyl-5-fluorohexa-2,4-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

Related Compounds

1-[1-[(5R)-2,5-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]heptyl]piperazine
CID 68330524
1-[(4-Fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine
CID 71019352
1-(5-fluoro-2-methylcyclohept-4-en-1-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 123207174
5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine
CID 123278977
N-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine
CID 123373633
1-[(2Z,3Z,6E,7Z)-4-cyclopropyl-6-(fluoromethylidene)-5-methyl-2-pentan-2-ylidenenona-3,7-dienyl]-N-methylpiperidin-4-amine
CID 134593997
3-(4-ethenylcyclohexa-2,4-dien-1-yl)-1-(3-fluoropyrrolidin-1-yl)-N-methylbutan-2-amine
CID 135225537
1-[(2E,4E)-5-fluoro-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-2-methylhepta-2,4,6-trienyl]piperazine
CID 143127950
5-[(2E)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienyl]-1-methylpiperidin-3-amine
CID 144302243
(4,6-Difluorocyclohexa-2,4-dien-1-yl)-(1-methylpiperidin-4-yl)methanamine
CID 144474401
(2S)-2-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine
CID 163519561
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 163521059

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4E)-1-cyclobutyl-2-ethenyl-5-fluorohexa-2,4-dienyl]piperazine?
The IUPAC name of 1-[(2E,4E)-1-cyclobutyl-2-ethenyl-5-fluorohexa-2,4-dienyl]piperazine (CID 166731681) is 1-[(2E,4E)-1-cyclobutyl-2-ethenyl-5-fluorohexa-2,4-dienyl]piperazine.
What is the SMILES notation for 1-[(2E,4E)-1-cyclobutyl-2-ethenyl-5-fluorohexa-2,4-dienyl]piperazine?
The canonical SMILES for 1-[(2E,4E)-1-cyclobutyl-2-ethenyl-5-fluorohexa-2,4-dienyl]piperazine is C=C/C(=C\C=C(/C)F)C(C1CCC1)N1CCNCC1.
What is the InChIKey of 1-[(2E,4E)-1-cyclobutyl-2-ethenyl-5-fluorohexa-2,4-dienyl]piperazine?
The InChIKey is IFCBDOIOZSZJPQ-FNCQTZNRSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-14(8-7-13(2)17)16(15-5-4-6-15)19-11-9-18-10-12-19/h3,7-8,15-16,18H,1,4-6,9-12H2,2H3/b13-7+,14-8+.
What are the key properties of 1-[(2E,4E)-1-cyclobutyl-2-ethenyl-5-fluorohexa-2,4-dienyl]piperazine?
1-[(2E,4E)-1-cyclobutyl-2-ethenyl-5-fluorohexa-2,4-dienyl]piperazine has a molecular weight of 264.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E)-1-cyclobutyl-2-ethenyl-5-fluorohexa-2,4-dienyl]piperazine is sourced from PubChem (CID 166731681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).