1-(difluoromethylsulfonyl)-4-methylpiperidin-4-ol

C7H13F2NO3S — CID 81103858

IUPAC1-(difluoromethylsulfonyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C7H13F2NO3S/c1-7(11)2-4-10(5-3-7)14(12,13)6(8)9/h6,11H,2-5H2,1H3
InChIKeyRVOGQROGYFDTHJ-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.39
Rot. Bonds2

About 1-(difluoromethylsulfonyl)-4-methylpiperidin-4-ol

1-(difluoromethylsulfonyl)-4-methylpiperidin-4-ol (PubChem CID 81103858) has the molecular formula C7H13F2NO3S and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-4-methylpiperidin-4-ol
PubChem CID81103858
Molecular FormulaC7H13F2NO3S
Molecular Weight229.25 g/mol
Exact Mass229.06
IUPAC Name1-(difluoromethylsulfonyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C7H13F2NO3S/c1-7(11)2-4-10(5-3-7)14(12,13)6(8)9/h6,11H,2-5H2,1H3
InChIKeyRVOGQROGYFDTHJ-UHFFFAOYSA-N
XLogP0.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-Dimethylpropylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
CID 136540392
Methyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-sulfinate
CID 117626040
4-Methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol
CID 81103098
4-Methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol
CID 83058232
1-Propylsulfonyl-4-(trifluoromethyl)piperidin-4-ol
CID 109886326
N,N-diethyl-4-hydroxy-4-(trifluoromethyl)piperidine-1-sulfonamide
CID 109886331
N-butyl-4-hydroxy-N-methyl-4-(trifluoromethyl)piperidine-1-sulfonamide
CID 109886342
1-Butylsulfonyl-4-(trifluoromethyl)piperidin-4-ol
CID 109886352
1-(3,3-Dimethylbutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
CID 109886355
1-Ethylsulfonyl-4-(trifluoromethyl)piperidin-4-ol
CID 109917898
1-(3-Methylbutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
CID 109917910
1-(2-Methylpentylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
CID 109917911

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(difluoromethylsulfonyl)-4-methylpiperidin-4-ol (CID 81103858) is 1-(difluoromethylsulfonyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(difluoromethylsulfonyl)-4-methylpiperidin-4-ol is CC1(O)CCN(S(=O)(=O)C(F)F)CC1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-4-methylpiperidin-4-ol?
The InChIKey is RVOGQROGYFDTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO3S/c1-7(11)2-4-10(5-3-7)14(12,13)6(8)9/h6,11H,2-5H2,1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-4-methylpiperidin-4-ol?
1-(difluoromethylsulfonyl)-4-methylpiperidin-4-ol has a molecular weight of 229.25 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81103858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).