(2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C13H15F2NO2 — CID 80707647

IUPAC(2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C13H15F2NO2/c1-13(18)5-7-16(8-6-13)12(17)11-9(14)3-2-4-10(11)15/h2-4,18H,5-8H2,1H3
InChIKeyXHNXLRJXMAMLDK-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.95
Rot. Bonds1

About (2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 80707647) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID80707647
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name(2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C13H15F2NO2/c1-13(18)5-7-16(8-6-13)12(17)11-9(14)3-2-4-10(11)15/h2-4,18H,5-8H2,1H3
InChIKeyXHNXLRJXMAMLDK-UHFFFAOYSA-N
XLogP1.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113257009
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(2,6-difluorophenyl)methanone
CID 131703355
(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 139023381
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
(2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81420206
(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 82828823
(2,6-difluorophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 7285657
4,5-difluoro-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzoic acid
CID 81095842
(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 70215265
(2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 898638
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36510130
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 80707647) is (2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is CC1(O)CCN(C(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of (2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is XHNXLRJXMAMLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-13(18)5-7-16(8-6-13)12(17)11-9(14)3-2-4-10(11)15/h2-4,18H,5-8H2,1H3.
What are the key properties of (2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 255.26 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 80707647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).