1-[(3E,5Z)-1-fluoro-1-hydroxyocta-3,5,7-trien-2-yl]piperidin-4-ol

C13H20FNO2 — CID 143971253

IUPAC1-[(3E,5Z)-1-fluoro-1-hydroxyocta-3,5,7-trien-2-yl]piperidin-4-ol
SMILESC=C/C=C\C=C\C(C(O)F)N1CCC(O)CC1
InChIInChI=1S/C13H20FNO2/c1-2-3-4-5-6-12(13(14)17)15-9-7-11(16)8-10-15/h2-6,11-13,16-17H,1,7-10H2/b4-3-,6-5+
InChIKeyRFFQAMBSQILKJY-DNVGVPOPSA-N
MW241.31 g/mol
LogP1.40
Rot. Bonds5

About 1-[(3E,5Z)-1-fluoro-1-hydroxyocta-3,5,7-trien-2-yl]piperidin-4-ol

1-[(3E,5Z)-1-fluoro-1-hydroxyocta-3,5,7-trien-2-yl]piperidin-4-ol (PubChem CID 143971253) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[(3E,5Z)-1-fluoro-1-hydroxyocta-3,5,7-trien-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(3E,5Z)-1-fluoro-1-hydroxyocta-3,5,7-trien-2-yl]piperidin-4-ol
PubChem CID143971253
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-[(3E,5Z)-1-fluoro-1-hydroxyocta-3,5,7-trien-2-yl]piperidin-4-ol
SMILESC=C/C=C\C=C\C(C(O)F)N1CCC(O)CC1
InChIInChI=1S/C13H20FNO2/c1-2-3-4-5-6-12(13(14)17)15-9-7-11(16)8-10-15/h2-6,11-13,16-17H,1,7-10H2/b4-3-,6-5+
InChIKeyRFFQAMBSQILKJY-DNVGVPOPSA-N
XLogP1.40
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.40
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 1-[(3E,5Z)-1-fluoro-1-hydroxyocta-3,5,7-trien-2-yl]piperidin-4-ol?
The IUPAC name of 1-[(3E,5Z)-1-fluoro-1-hydroxyocta-3,5,7-trien-2-yl]piperidin-4-ol (CID 143971253) is 1-[(3E,5Z)-1-fluoro-1-hydroxyocta-3,5,7-trien-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[(3E,5Z)-1-fluoro-1-hydroxyocta-3,5,7-trien-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[(3E,5Z)-1-fluoro-1-hydroxyocta-3,5,7-trien-2-yl]piperidin-4-ol is C=C/C=C\C=C\C(C(O)F)N1CCC(O)CC1.
What is the InChIKey of 1-[(3E,5Z)-1-fluoro-1-hydroxyocta-3,5,7-trien-2-yl]piperidin-4-ol?
The InChIKey is RFFQAMBSQILKJY-DNVGVPOPSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-2-3-4-5-6-12(13(14)17)15-9-7-11(16)8-10-15/h2-6,11-13,16-17H,1,7-10H2/b4-3-,6-5+.
What are the key properties of 1-[(3E,5Z)-1-fluoro-1-hydroxyocta-3,5,7-trien-2-yl]piperidin-4-ol?
1-[(3E,5Z)-1-fluoro-1-hydroxyocta-3,5,7-trien-2-yl]piperidin-4-ol has a molecular weight of 241.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-1-fluoro-1-hydroxyocta-3,5,7-trien-2-yl]piperidin-4-ol is sourced from PubChem (CID 143971253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).