4-[(2Z,4E)-3-chloro-4-fluorohepta-2,4,6-trien-2-yl]piperidine

C12H17ClFN — CID 144954918

IUPAC4-[(2Z,4E)-3-chloro-4-fluorohepta-2,4,6-trien-2-yl]piperidine
SMILESC=C/C=C(F)\C(Cl)=C(/C)C1CCNCC1
InChIInChI=1S/C12H17ClFN/c1-3-4-11(14)12(13)9(2)10-5-7-15-8-6-10/h3-4,10,15H,1,5-8H2,2H3/b11-4+,12-9-
InChIKeyBZNPPDXLIGPWFJ-QGIATPRGSA-N
MW229.73 g/mol
LogP3.54
Rot. Bonds3

About 4-[(2Z,4E)-3-chloro-4-fluorohepta-2,4,6-trien-2-yl]piperidine

4-[(2Z,4E)-3-chloro-4-fluorohepta-2,4,6-trien-2-yl]piperidine (PubChem CID 144954918) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is 4-[(2Z,4E)-3-chloro-4-fluorohepta-2,4,6-trien-2-yl]piperidine.

Molecular Properties

Compound Name4-[(2Z,4E)-3-chloro-4-fluorohepta-2,4,6-trien-2-yl]piperidine
PubChem CID144954918
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Name4-[(2Z,4E)-3-chloro-4-fluorohepta-2,4,6-trien-2-yl]piperidine
SMILESC=C/C=C(F)\C(Cl)=C(/C)C1CCNCC1
InChIInChI=1S/C12H17ClFN/c1-3-4-11(14)12(13)9(2)10-5-7-15-8-6-10/h3-4,10,15H,1,5-8H2,2H3/b11-4+,12-9-
InChIKeyBZNPPDXLIGPWFJ-QGIATPRGSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 53.54
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-[(2Z,4E)-3-chloro-4-fluorohepta-2,4,6-trien-2-yl]piperidine?
The IUPAC name of 4-[(2Z,4E)-3-chloro-4-fluorohepta-2,4,6-trien-2-yl]piperidine (CID 144954918) is 4-[(2Z,4E)-3-chloro-4-fluorohepta-2,4,6-trien-2-yl]piperidine.
What is the SMILES notation for 4-[(2Z,4E)-3-chloro-4-fluorohepta-2,4,6-trien-2-yl]piperidine?
The canonical SMILES for 4-[(2Z,4E)-3-chloro-4-fluorohepta-2,4,6-trien-2-yl]piperidine is C=C/C=C(F)\C(Cl)=C(/C)C1CCNCC1.
What is the InChIKey of 4-[(2Z,4E)-3-chloro-4-fluorohepta-2,4,6-trien-2-yl]piperidine?
The InChIKey is BZNPPDXLIGPWFJ-QGIATPRGSA-N. The full InChI is InChI=1S/C12H17ClFN/c1-3-4-11(14)12(13)9(2)10-5-7-15-8-6-10/h3-4,10,15H,1,5-8H2,2H3/b11-4+,12-9-.
What are the key properties of 4-[(2Z,4E)-3-chloro-4-fluorohepta-2,4,6-trien-2-yl]piperidine?
4-[(2Z,4E)-3-chloro-4-fluorohepta-2,4,6-trien-2-yl]piperidine has a molecular weight of 229.73 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4E)-3-chloro-4-fluorohepta-2,4,6-trien-2-yl]piperidine is sourced from PubChem (CID 144954918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).