4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine

C12H19FN2 — CID 88582935

IUPAC4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
SMILESC=C/C(=C\C=C(/C)F)C1(N)CCNCC1
InChIInChI=1S/C12H19FN2/c1-3-11(5-4-10(2)13)12(14)6-8-15-9-7-12/h3-5,15H,1,6-9,14H2,2H3/b10-4+,11-5+
InChIKeyUTENEZPVZOBHEI-ZVSIBQGLSA-N
MW210.30 g/mol
LogP2.05
Rot. Bonds3

About 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine

4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine (PubChem CID 88582935) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
PubChem CID88582935
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
SMILESC=C/C(=C\C=C(/C)F)C1(N)CCNCC1
InChIInChI=1S/C12H19FN2/c1-3-11(5-4-10(2)13)12(14)6-8-15-9-7-12/h3-5,15H,1,6-9,14H2,2H3/b10-4+,11-5+
InChIKeyUTENEZPVZOBHEI-ZVSIBQGLSA-N
XLogP2.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine 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 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine?
The IUPAC name of 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine (CID 88582935) is 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine.
What is the SMILES notation for 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine?
The canonical SMILES for 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine is C=C/C(=C\C=C(/C)F)C1(N)CCNCC1.
What is the InChIKey of 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine?
The InChIKey is UTENEZPVZOBHEI-ZVSIBQGLSA-N. The full InChI is InChI=1S/C12H19FN2/c1-3-11(5-4-10(2)13)12(14)6-8-15-9-7-12/h3-5,15H,1,6-9,14H2,2H3/b10-4+,11-5+.
What are the key properties of 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine?
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine has a molecular weight of 210.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine is sourced from PubChem (CID 88582935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).