2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol

C14H19F2NO3S — CID 61146696

IUPAC2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol
SMILESO=S(=O)(c1ccccc1N1CCCCC1CCO)C(F)F
InChIInChI=1S/C14H19F2NO3S/c15-14(16)21(19,20)13-7-2-1-6-12(13)17-9-4-3-5-11(17)8-10-18/h1-2,6-7,11,14,18H,3-5,8-10H2
InChIKeyIGBCMZKRNJODDU-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.42
Rot. Bonds5

About 2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol

2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol (PubChem CID 61146696) has the molecular formula C14H19F2NO3S and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol
PubChem CID61146696
Molecular FormulaC14H19F2NO3S
Molecular Weight319.37 g/mol
Exact Mass319.11
IUPAC Name2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol
SMILESO=S(=O)(c1ccccc1N1CCCCC1CCO)C(F)F
InChIInChI=1S/C14H19F2NO3S/c15-14(16)21(19,20)13-7-2-1-6-12(13)17-9-4-3-5-11(17)8-10-18/h1-2,6-7,11,14,18H,3-5,8-10H2
InChIKeyIGBCMZKRNJODDU-UHFFFAOYSA-N
XLogP2.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[2-(difluoromethylsulfonyl)phenyl]pyrrolidin-2-yl]propan-1-amine
CID 63760645
1-[2-(difluoromethylsulfonyl)phenyl]piperidine-2-carboxylic acid
CID 43455346
2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid
CID 62230001
2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol
CID 117028523
[1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine
CID 103442531
2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 61409798
2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol
CID 117028559
N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 43199962
2-[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]ethanol
CID 61150558
2-[2-(chloromethyl)piperidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 63392117
2-(bromomethyl)-1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidine
CID 102786244
3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide
CID 60712967

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol (CID 61146696) is 2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol is O=S(=O)(c1ccccc1N1CCCCC1CCO)C(F)F.
What is the InChIKey of 2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol?
The InChIKey is IGBCMZKRNJODDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3S/c15-14(16)21(19,20)13-7-2-1-6-12(13)17-9-4-3-5-11(17)8-10-18/h1-2,6-7,11,14,18H,3-5,8-10H2.
What are the key properties of 2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol?
2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol has a molecular weight of 319.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 61146696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).