N-[(1E,5E)-4-ethyl-6-fluorohexa-1,5-dienyl]piperidin-4-amine

C13H23FN2 — CID 144808674

IUPACN-[(1E,5E)-4-ethyl-6-fluorohexa-1,5-dienyl]piperidin-4-amine
SMILESCCC(/C=C/F)C/C=C/NC1CCNCC1
InChIInChI=1S/C13H23FN2/c1-2-12(5-8-14)4-3-9-16-13-6-10-15-11-7-13/h3,5,8-9,12-13,15-16H,2,4,6-7,10-11H2,1H3/b8-5+,9-3+
InChIKeyXMWIDACXUHCIOI-MXJIWBSISA-N
MW226.34 g/mol
LogP2.74
Rot. Bonds6

About N-[(1E,5E)-4-ethyl-6-fluorohexa-1,5-dienyl]piperidin-4-amine

N-[(1E,5E)-4-ethyl-6-fluorohexa-1,5-dienyl]piperidin-4-amine (PubChem CID 144808674) has the molecular formula C13H23FN2 and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[(1E,5E)-4-ethyl-6-fluorohexa-1,5-dienyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(1E,5E)-4-ethyl-6-fluorohexa-1,5-dienyl]piperidin-4-amine
PubChem CID144808674
Molecular FormulaC13H23FN2
Molecular Weight226.34 g/mol
Exact Mass226.18
IUPAC NameN-[(1E,5E)-4-ethyl-6-fluorohexa-1,5-dienyl]piperidin-4-amine
SMILESCCC(/C=C/F)C/C=C/NC1CCNCC1
InChIInChI=1S/C13H23FN2/c1-2-12(5-8-14)4-3-9-16-13-6-10-15-11-7-13/h3,5,8-9,12-13,15-16H,2,4,6-7,10-11H2,1H3/b8-5+,9-3+
InChIKeyXMWIDACXUHCIOI-MXJIWBSISA-N
XLogP2.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1E,5E)-4-ethyl-6-fluorohexa-1,5-dienyl]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 N-[(1E,5E)-4-ethyl-6-fluorohexa-1,5-dienyl]piperidin-4-amine?
The IUPAC name of N-[(1E,5E)-4-ethyl-6-fluorohexa-1,5-dienyl]piperidin-4-amine (CID 144808674) is N-[(1E,5E)-4-ethyl-6-fluorohexa-1,5-dienyl]piperidin-4-amine.
What is the SMILES notation for N-[(1E,5E)-4-ethyl-6-fluorohexa-1,5-dienyl]piperidin-4-amine?
The canonical SMILES for N-[(1E,5E)-4-ethyl-6-fluorohexa-1,5-dienyl]piperidin-4-amine is CCC(/C=C/F)C/C=C/NC1CCNCC1.
What is the InChIKey of N-[(1E,5E)-4-ethyl-6-fluorohexa-1,5-dienyl]piperidin-4-amine?
The InChIKey is XMWIDACXUHCIOI-MXJIWBSISA-N. The full InChI is InChI=1S/C13H23FN2/c1-2-12(5-8-14)4-3-9-16-13-6-10-15-11-7-13/h3,5,8-9,12-13,15-16H,2,4,6-7,10-11H2,1H3/b8-5+,9-3+.
What are the key properties of N-[(1E,5E)-4-ethyl-6-fluorohexa-1,5-dienyl]piperidin-4-amine?
N-[(1E,5E)-4-ethyl-6-fluorohexa-1,5-dienyl]piperidin-4-amine has a molecular weight of 226.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,5E)-4-ethyl-6-fluorohexa-1,5-dienyl]piperidin-4-amine is sourced from PubChem (CID 144808674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).