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

C13H20FN — CID 134365665

IUPAC4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperidine
SMILESC=C/C(=C\C=C(/C)F)C1CCN(C)CC1
InChIInChI=1S/C13H20FN/c1-4-12(6-5-11(2)14)13-7-9-15(3)10-8-13/h4-6,13H,1,7-10H2,2-3H3/b11-5+,12-6+
InChIKeyMCQDVKFPOSLPMM-YDWXAUTNSA-N
MW209.31 g/mol
LogP3.31
Rot. Bonds3

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

4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperidine (PubChem CID 134365665) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperidine
PubChem CID134365665
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperidine
SMILESC=C/C(=C\C=C(/C)F)C1CCN(C)CC1
InChIInChI=1S/C13H20FN/c1-4-12(6-5-11(2)14)13-7-9-15(3)10-8-13/h4-6,13H,1,7-10H2,2-3H3/b11-5+,12-6+
InChIKeyMCQDVKFPOSLPMM-YDWXAUTNSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
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,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperidine?
The IUPAC name of 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperidine (CID 134365665) is 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperidine?
The canonical SMILES for 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperidine is C=C/C(=C\C=C(/C)F)C1CCN(C)CC1.
What is the InChIKey of 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperidine?
The InChIKey is MCQDVKFPOSLPMM-YDWXAUTNSA-N. The full InChI is InChI=1S/C13H20FN/c1-4-12(6-5-11(2)14)13-7-9-15(3)10-8-13/h4-6,13H,1,7-10H2,2-3H3/b11-5+,12-6+.
What are the key properties of 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperidine?
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperidine has a molecular weight of 209.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperidine is sourced from PubChem (CID 134365665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).