1-[3-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienyl]piperidin-1-yl]ethanone

C14H20FNO — CID 144622050

IUPAC1-[3-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienyl]piperidin-1-yl]ethanone
SMILESC=C/C(F)=C\C(=C)CC1CCCN(C(C)=O)C1
InChIInChI=1S/C14H20FNO/c1-4-14(15)9-11(2)8-13-6-5-7-16(10-13)12(3)17/h4,9,13H,1-2,5-8,10H2,3H3/b14-9+
InChIKeyOXEZNMIRIVTPJP-NTEUORMPSA-N
MW237.32 g/mol
LogP3.23
Rot. Bonds4

About 1-[3-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienyl]piperidin-1-yl]ethanone

1-[3-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienyl]piperidin-1-yl]ethanone (PubChem CID 144622050) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[3-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienyl]piperidin-1-yl]ethanone
PubChem CID144622050
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[3-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienyl]piperidin-1-yl]ethanone
SMILESC=C/C(F)=C\C(=C)CC1CCCN(C(C)=O)C1
InChIInChI=1S/C14H20FNO/c1-4-14(15)9-11(2)8-13-6-5-7-16(10-13)12(3)17/h4,9,13H,1-2,5-8,10H2,3H3/b14-9+
InChIKeyOXEZNMIRIVTPJP-NTEUORMPSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.23
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-[3-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienyl]piperidin-1-yl]ethanone (CID 144622050) is 1-[3-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienyl]piperidin-1-yl]ethanone is C=C/C(F)=C\C(=C)CC1CCCN(C(C)=O)C1.
What is the InChIKey of 1-[3-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienyl]piperidin-1-yl]ethanone?
The InChIKey is OXEZNMIRIVTPJP-NTEUORMPSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-14(15)9-11(2)8-13-6-5-7-16(10-13)12(3)17/h4,9,13H,1-2,5-8,10H2,3H3/b14-9+.
What are the key properties of 1-[3-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienyl]piperidin-1-yl]ethanone?
1-[3-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienyl]piperidin-1-yl]ethanone has a molecular weight of 237.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 144622050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).