4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine

C11H16FN — CID 89162763

IUPAC4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
SMILESC=C/C=C(/F)C(=C)C1CCNCC1
InChIInChI=1S/C11H16FN/c1-3-4-11(12)9(2)10-5-7-13-8-6-10/h3-4,10,13H,1-2,5-8H2/b11-4+
InChIKeyQFLPKIOFRXIOIB-NYYWCZLTSA-N
MW181.25 g/mol
LogP2.58
Rot. Bonds3

About 4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine

4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine (PubChem CID 89162763) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine.

Molecular Properties

Compound Name4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
PubChem CID89162763
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
SMILESC=C/C=C(/F)C(=C)C1CCNCC1
InChIInChI=1S/C11H16FN/c1-3-4-11(12)9(2)10-5-7-13-8-6-10/h3-4,10,13H,1-2,5-8H2/b11-4+
InChIKeyQFLPKIOFRXIOIB-NYYWCZLTSA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine?
The IUPAC name of 4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine (CID 89162763) is 4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine.
What is the SMILES notation for 4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine?
The canonical SMILES for 4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine is C=C/C=C(/F)C(=C)C1CCNCC1.
What is the InChIKey of 4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine?
The InChIKey is QFLPKIOFRXIOIB-NYYWCZLTSA-N. The full InChI is InChI=1S/C11H16FN/c1-3-4-11(12)9(2)10-5-7-13-8-6-10/h3-4,10,13H,1-2,5-8H2/b11-4+.
What are the key properties of 4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine?
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine has a molecular weight of 181.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine is sourced from PubChem (CID 89162763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).