1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol

C13H17F2NO3S — CID 114680750

IUPAC1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2ccccc2S(=O)(=O)C(F)F)CCC1O
InChIInChI=1S/C13H17F2NO3S/c1-9-8-16(7-6-11(9)17)10-4-2-3-5-12(10)20(18,19)13(14)15/h2-5,9,11,13,17H,6-8H2,1H3
InChIKeyPUHWWIXTXJRSPU-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.89
Rot. Bonds3

About 1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol

1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol (PubChem CID 114680750) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol
PubChem CID114680750
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2ccccc2S(=O)(=O)C(F)F)CCC1O
InChIInChI=1S/C13H17F2NO3S/c1-9-8-16(7-6-11(9)17)10-4-2-3-5-12(10)20(18,19)13(14)15/h2-5,9,11,13,17H,6-8H2,1H3
InChIKeyPUHWWIXTXJRSPU-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[2-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 113239909
(3R)-1-[2-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 113238022
3-methyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-ol
CID 114680817
1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine
CID 103577764
methyl 1-[2-(difluoromethylsulfonyl)phenyl]piperidine-4-carboxylate
CID 133275055
methyl (3S)-1-[2-(difluoromethylsulfonyl)phenyl]piperidine-3-carboxylate
CID 133326717
1-[2-(difluoromethylsulfonyl)phenyl]piperidine-4-carbaldehyde
CID 62663099
4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol
CID 103896232
2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]benzoic acid
CID 129394712
1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 114677647
(3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 129380912
2-(bromomethyl)-1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidine
CID 102786244

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol (CID 114680750) is 1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol is CC1CN(c2ccccc2S(=O)(=O)C(F)F)CCC1O.
What is the InChIKey of 1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol?
The InChIKey is PUHWWIXTXJRSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c1-9-8-16(7-6-11(9)17)10-4-2-3-5-12(10)20(18,19)13(14)15/h2-5,9,11,13,17H,6-8H2,1H3.
What are the key properties of 1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol?
1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol has a molecular weight of 305.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114680750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).