2-(2,6-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone

C14H17F2NO2 — CID 115874648

IUPAC2-(2,6-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCC1(O)CCCN(C(=O)Cc2c(F)cccc2F)C1
InChIInChI=1S/C14H17F2NO2/c1-14(19)6-3-7-17(9-14)13(18)8-10-11(15)4-2-5-12(10)16/h2,4-5,19H,3,6-9H2,1H3
InChIKeyKBOPZQSEQITHFP-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.88
Rot. Bonds2

About 2-(2,6-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone

2-(2,6-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone (PubChem CID 115874648) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
PubChem CID115874648
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name2-(2,6-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCC1(O)CCCN(C(=O)Cc2c(F)cccc2F)C1
InChIInChI=1S/C14H17F2NO2/c1-14(19)6-3-7-17(9-14)13(18)8-10-11(15)4-2-5-12(10)16/h2,4-5,19H,3,6-9H2,1H3
InChIKeyKBOPZQSEQITHFP-UHFFFAOYSA-N
XLogP1.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone (CID 115874648) is 2-(2,6-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone is CC1(O)CCCN(C(=O)Cc2c(F)cccc2F)C1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone?
The InChIKey is KBOPZQSEQITHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-14(19)6-3-7-17(9-14)13(18)8-10-11(15)4-2-5-12(10)16/h2,4-5,19H,3,6-9H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone?
2-(2,6-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone has a molecular weight of 269.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 115874648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).