1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]piperidine

C16H26FN — CID 135225542

IUPAC1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]piperidine
SMILESC/C=C/C=C(\C=C(/C)F)CCCN1CCCCC1
InChIInChI=1S/C16H26FN/c1-3-4-9-16(14-15(2)17)10-8-13-18-11-6-5-7-12-18/h3-4,9,14H,5-8,10-13H2,1-2H3/b4-3+,15-14+,16-9-
InChIKeyUOGYTICWBLVGDH-MMMCCKKZSA-N
MW251.39 g/mol
LogP4.63
Rot. Bonds6

About 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]piperidine

1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]piperidine (PubChem CID 135225542) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]piperidine.

Molecular Properties

Compound Name1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]piperidine
PubChem CID135225542
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]piperidine
SMILESC/C=C/C=C(\C=C(/C)F)CCCN1CCCCC1
InChIInChI=1S/C16H26FN/c1-3-4-9-16(14-15(2)17)10-8-13-18-11-6-5-7-12-18/h3-4,9,14H,5-8,10-13H2,1-2H3/b4-3+,15-14+,16-9-
InChIKeyUOGYTICWBLVGDH-MMMCCKKZSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.63
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 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]piperidine?
The IUPAC name of 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]piperidine (CID 135225542) is 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]piperidine.
What is the SMILES notation for 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]piperidine?
The canonical SMILES for 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]piperidine is C/C=C/C=C(\C=C(/C)F)CCCN1CCCCC1.
What is the InChIKey of 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]piperidine?
The InChIKey is UOGYTICWBLVGDH-MMMCCKKZSA-N. The full InChI is InChI=1S/C16H26FN/c1-3-4-9-16(14-15(2)17)10-8-13-18-11-6-5-7-12-18/h3-4,9,14H,5-8,10-13H2,1-2H3/b4-3+,15-14+,16-9-.
What are the key properties of 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]piperidine?
1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]piperidine has a molecular weight of 251.39 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]piperidine is sourced from PubChem (CID 135225542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).