2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone

C13H15F2NO2 — CID 164851654

IUPAC2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
SMILESO=C(C(F)F)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C13H15F2NO2/c14-11(15)12(17)16-8-6-13(18,7-9-16)10-4-2-1-3-5-10/h1-5,11,18H,6-9H2
InChIKeyYUIQLKKULIIFIO-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.76
Rot. Bonds2

About 2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone

2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone (PubChem CID 164851654) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
PubChem CID164851654
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
SMILESO=C(C(F)F)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C13H15F2NO2/c14-11(15)12(17)16-8-6-13(18,7-9-16)10-4-2-1-3-5-10/h1-5,11,18H,6-9H2
InChIKeyYUIQLKKULIIFIO-UHFFFAOYSA-N
XLogP1.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone (CID 164851654) is 2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone is O=C(C(F)F)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone?
The InChIKey is YUIQLKKULIIFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-11(15)12(17)16-8-6-13(18,7-9-16)10-4-2-1-3-5-10/h1-5,11,18H,6-9H2.
What are the key properties of 2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone?
2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone has a molecular weight of 255.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone is sourced from PubChem (CID 164851654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).