[2-(difluoromethoxy)phenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone

C14H17F2NO3 — CID 115875311

IUPAC[2-(difluoromethoxy)phenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C14H17F2NO3/c1-14(19)7-4-8-17(9-14)12(18)10-5-2-3-6-11(10)20-13(15)16/h2-3,5-6,13,19H,4,7-9H2,1H3
InChIKeyZJFIEUJAWOOYBC-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.28
Rot. Bonds3

About [2-(difluoromethoxy)phenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone

[2-(difluoromethoxy)phenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 115875311) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID115875311
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name[2-(difluoromethoxy)phenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C14H17F2NO3/c1-14(19)7-4-8-17(9-14)12(18)10-5-2-3-6-11(10)20-13(15)16/h2-3,5-6,13,19H,4,7-9H2,1H3
InChIKeyZJFIEUJAWOOYBC-UHFFFAOYSA-N
XLogP2.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone
CID 107406615
2-[2-(difluoromethoxy)benzoyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 162441970
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
(4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344059
[2-(difluoromethoxy)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029867
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 34343631
2-cyclohexyl-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]ethanone
CID 134001998
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470739
2-(2-fluorophenoxy)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115875253
[2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577090
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 55548173
(1-chloroisoquinolin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 106766427

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone (CID 115875311) is [2-(difluoromethoxy)phenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone is CC1(O)CCCN(C(=O)c2ccccc2OC(F)F)C1.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is ZJFIEUJAWOOYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-14(19)7-4-8-17(9-14)12(18)10-5-2-3-6-11(10)20-13(15)16/h2-3,5-6,13,19H,4,7-9H2,1H3.
What are the key properties of [2-(difluoromethoxy)phenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
[2-(difluoromethoxy)phenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 285.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 115875311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).