4-[1-(2-fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine

C13H23FN2 — CID 91377758

IUPAC4-[1-(2-fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
SMILESCC=C(C=CCN)C1CCN(CCF)CC1
InChIInChI=1S/C13H23FN2/c1-2-12(4-3-8-15)13-5-9-16(10-6-13)11-7-14/h2-4,13H,5-11,15H2,1H3
InChIKeyMIQMWGJUYKBNDJ-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.13
Rot. Bonds5

About 4-[1-(2-fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine

4-[1-(2-fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine (PubChem CID 91377758) has the molecular formula C13H23FN2 and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-[1-(2-fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-[1-(2-fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
PubChem CID91377758
Molecular FormulaC13H23FN2
Molecular Weight226.34 g/mol
Exact Mass226.18
IUPAC Name4-[1-(2-fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
SMILESCC=C(C=CCN)C1CCN(CCF)CC1
InChIInChI=1S/C13H23FN2/c1-2-12(4-3-8-15)13-5-9-16(10-6-13)11-7-14/h2-4,13H,5-11,15H2,1H3
InChIKeyMIQMWGJUYKBNDJ-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[1-(2-fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-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-[1-(2-fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine?
The IUPAC name of 4-[1-(2-fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine (CID 91377758) is 4-[1-(2-fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine.
What is the SMILES notation for 4-[1-(2-fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine?
The canonical SMILES for 4-[1-(2-fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine is CC=C(C=CCN)C1CCN(CCF)CC1.
What is the InChIKey of 4-[1-(2-fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine?
The InChIKey is MIQMWGJUYKBNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2/c1-2-12(4-3-8-15)13-5-9-16(10-6-13)11-7-14/h2-4,13H,5-11,15H2,1H3.
What are the key properties of 4-[1-(2-fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine?
4-[1-(2-fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine has a molecular weight of 226.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine is sourced from PubChem (CID 91377758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).