[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone

C13H15F2NO3 — CID 43391804

IUPAC[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccccc1OC(F)F)N1CCC(O)CC1
InChIInChI=1S/C13H15F2NO3/c14-13(15)19-11-4-2-1-3-10(11)12(18)16-7-5-9(17)6-8-16/h1-4,9,13,17H,5-8H2
InChIKeyDFSKNWSSGAVAHO-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.88
Rot. Bonds3

About [2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone

[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 43391804) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID43391804
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccccc1OC(F)F)N1CCC(O)CC1
InChIInChI=1S/C13H15F2NO3/c14-13(15)19-11-4-2-1-3-10(11)12(18)16-7-5-9(17)6-8-16/h1-4,9,13,17H,5-8H2
InChIKeyDFSKNWSSGAVAHO-UHFFFAOYSA-N
XLogP1.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(difluoromethoxy)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029867
[1-[2-(difluoromethoxy)benzoyl]pyrrolidin-2-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 138995269
[2-(difluoromethoxy)phenyl]-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]methanone
CID 97141421
(4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 111463148
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(difluoromethoxy)phenyl]methanone
CID 81486182
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 119662118
[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
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119278786
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470739
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone
CID 119278778
(4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119703716

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone (CID 43391804) is [2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone is O=C(c1ccccc1OC(F)F)N1CCC(O)CC1.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is DFSKNWSSGAVAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c14-13(15)19-11-4-2-1-3-10(11)12(18)16-7-5-9(17)6-8-16/h1-4,9,13,17H,5-8H2.
What are the key properties of [2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone?
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 271.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43391804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).