3-ethoxy-4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]piperidin-4-ol

C14H22FNO2 — CID 143401943

IUPAC3-ethoxy-4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]piperidin-4-ol
SMILESC=C/C(F)=C\C=C(/C)C1(O)CCNCC1OCC
InChIInChI=1S/C14H22FNO2/c1-4-12(15)7-6-11(3)14(17)8-9-16-10-13(14)18-5-2/h4,6-7,13,16-17H,1,5,8-10H2,2-3H3/b11-6+,12-7+
InChIKeyCSBCHCZBONVTEM-GNXRPPCSSA-N
MW255.33 g/mol
LogP2.10
Rot. Bonds5

About 3-ethoxy-4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]piperidin-4-ol

3-ethoxy-4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]piperidin-4-ol (PubChem CID 143401943) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 3-ethoxy-4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name3-ethoxy-4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]piperidin-4-ol
PubChem CID143401943
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name3-ethoxy-4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]piperidin-4-ol
SMILESC=C/C(F)=C\C=C(/C)C1(O)CCNCC1OCC
InChIInChI=1S/C14H22FNO2/c1-4-12(15)7-6-11(3)14(17)8-9-16-10-13(14)18-5-2/h4,6-7,13,16-17H,1,5,8-10H2,2-3H3/b11-6+,12-7+
InChIKeyCSBCHCZBONVTEM-GNXRPPCSSA-N
XLogP2.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]piperidin-4-ol?
The IUPAC name of 3-ethoxy-4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]piperidin-4-ol (CID 143401943) is 3-ethoxy-4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]piperidin-4-ol.
What is the SMILES notation for 3-ethoxy-4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]piperidin-4-ol?
The canonical SMILES for 3-ethoxy-4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]piperidin-4-ol is C=C/C(F)=C\C=C(/C)C1(O)CCNCC1OCC.
What is the InChIKey of 3-ethoxy-4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]piperidin-4-ol?
The InChIKey is CSBCHCZBONVTEM-GNXRPPCSSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-4-12(15)7-6-11(3)14(17)8-9-16-10-13(14)18-5-2/h4,6-7,13,16-17H,1,5,8-10H2,2-3H3/b11-6+,12-7+.
What are the key properties of 3-ethoxy-4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]piperidin-4-ol?
3-ethoxy-4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]piperidin-4-ol has a molecular weight of 255.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]piperidin-4-ol is sourced from PubChem (CID 143401943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).