1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-4-piperidin-1-ylpiperidine

C17H29FN2 — CID 143279866

IUPAC1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-4-piperidin-1-ylpiperidine
SMILESC/C(F)=C\C=C(/C)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H29FN2/c1-15(6-7-16(2)18)14-19-12-8-17(9-13-19)20-10-4-3-5-11-20/h6-7,17H,3-5,8-14H2,1-2H3/b15-6+,16-7+
InChIKeyLYSRAZMDAVJHMH-MBGCCUORSA-N
MW280.43 g/mol
LogP3.76
Rot. Bonds4

About 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-4-piperidin-1-ylpiperidine

1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-4-piperidin-1-ylpiperidine (PubChem CID 143279866) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-4-piperidin-1-ylpiperidine
PubChem CID143279866
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-4-piperidin-1-ylpiperidine
SMILESC/C(F)=C\C=C(/C)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H29FN2/c1-15(6-7-16(2)18)14-19-12-8-17(9-13-19)20-10-4-3-5-11-20/h6-7,17H,3-5,8-14H2,1-2H3/b15-6+,16-7+
InChIKeyLYSRAZMDAVJHMH-MBGCCUORSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-4-piperidin-1-ylpiperidine (CID 143279866) is 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-4-piperidin-1-ylpiperidine is C/C(F)=C\C=C(/C)CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-4-piperidin-1-ylpiperidine?
The InChIKey is LYSRAZMDAVJHMH-MBGCCUORSA-N. The full InChI is InChI=1S/C17H29FN2/c1-15(6-7-16(2)18)14-19-12-8-17(9-13-19)20-10-4-3-5-11-20/h6-7,17H,3-5,8-14H2,1-2H3/b15-6+,16-7+.
What are the key properties of 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-4-piperidin-1-ylpiperidine?
1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-4-piperidin-1-ylpiperidine has a molecular weight of 280.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 143279866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).