1-[4-[(E)-3,3-difluoroprop-1-enyl]-4-hydroxypiperidin-1-yl]ethanone

C10H15F2NO2 — CID 90447942

IUPAC1-[4-[(E)-3,3-difluoroprop-1-enyl]-4-hydroxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O)(/C=C/C(F)F)CC1
InChIInChI=1S/C10H15F2NO2/c1-8(14)13-6-4-10(15,5-7-13)3-2-9(11)12/h2-3,9,15H,4-7H2,1H3/b3-2+
InChIKeyORJYXBGHJUYCOX-NSCUHMNNSA-N
MW219.23 g/mol
LogP1.18
Rot. Bonds2

About 1-[4-[(E)-3,3-difluoroprop-1-enyl]-4-hydroxypiperidin-1-yl]ethanone

1-[4-[(E)-3,3-difluoroprop-1-enyl]-4-hydroxypiperidin-1-yl]ethanone (PubChem CID 90447942) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 1-[4-[(E)-3,3-difluoroprop-1-enyl]-4-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(E)-3,3-difluoroprop-1-enyl]-4-hydroxypiperidin-1-yl]ethanone
PubChem CID90447942
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name1-[4-[(E)-3,3-difluoroprop-1-enyl]-4-hydroxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O)(/C=C/C(F)F)CC1
InChIInChI=1S/C10H15F2NO2/c1-8(14)13-6-4-10(15,5-7-13)3-2-9(11)12/h2-3,9,15H,4-7H2,1H3/b3-2+
InChIKeyORJYXBGHJUYCOX-NSCUHMNNSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-3,3-difluoroprop-1-enyl]-4-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(E)-3,3-difluoroprop-1-enyl]-4-hydroxypiperidin-1-yl]ethanone (CID 90447942) is 1-[4-[(E)-3,3-difluoroprop-1-enyl]-4-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(E)-3,3-difluoroprop-1-enyl]-4-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(E)-3,3-difluoroprop-1-enyl]-4-hydroxypiperidin-1-yl]ethanone is CC(=O)N1CCC(O)(/C=C/C(F)F)CC1.
What is the InChIKey of 1-[4-[(E)-3,3-difluoroprop-1-enyl]-4-hydroxypiperidin-1-yl]ethanone?
The InChIKey is ORJYXBGHJUYCOX-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-8(14)13-6-4-10(15,5-7-13)3-2-9(11)12/h2-3,9,15H,4-7H2,1H3/b3-2+.
What are the key properties of 1-[4-[(E)-3,3-difluoroprop-1-enyl]-4-hydroxypiperidin-1-yl]ethanone?
1-[4-[(E)-3,3-difluoroprop-1-enyl]-4-hydroxypiperidin-1-yl]ethanone has a molecular weight of 219.23 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-3,3-difluoroprop-1-enyl]-4-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 90447942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).