(2R,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol

C14H20FNO5S — CID 99779451

IUPAC(2R,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol
SMILESCOc1cc(F)c(S(=O)(=O)N2CC[C@@H](O)C[C@H]2C)cc1OC
InChIInChI=1S/C14H20FNO5S/c1-9-6-10(17)4-5-16(9)22(18,19)14-8-13(21-3)12(20-2)7-11(14)15/h7-10,17H,4-6H2,1-3H3/t9-,10-/m1/s1
InChIKeyNGMGLZSKIWHRTM-NXEZZACHSA-N
MW333.38 g/mol
LogP1.38
Rot. Bonds4

About (2R,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol

(2R,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol (PubChem CID 99779451) has the molecular formula C14H20FNO5S and a molecular weight of 333.38 g/mol. Its IUPAC name is (2R,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol
PubChem CID99779451
Molecular FormulaC14H20FNO5S
Molecular Weight333.38 g/mol
Exact Mass333.10
IUPAC Name(2R,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol
SMILESCOc1cc(F)c(S(=O)(=O)N2CC[C@@H](O)C[C@H]2C)cc1OC
InChIInChI=1S/C14H20FNO5S/c1-9-6-10(17)4-5-16(9)22(18,19)14-8-13(21-3)12(20-2)7-11(14)15/h7-10,17H,4-6H2,1-3H3/t9-,10-/m1/s1
InChIKeyNGMGLZSKIWHRTM-NXEZZACHSA-N
XLogP1.38
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol?
The IUPAC name of (2R,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol (CID 99779451) is (2R,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol.
What is the SMILES notation for (2R,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol?
The canonical SMILES for (2R,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol is COc1cc(F)c(S(=O)(=O)N2CC[C@@H](O)C[C@H]2C)cc1OC.
What is the InChIKey of (2R,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol?
The InChIKey is NGMGLZSKIWHRTM-NXEZZACHSA-N. The full InChI is InChI=1S/C14H20FNO5S/c1-9-6-10(17)4-5-16(9)22(18,19)14-8-13(21-3)12(20-2)7-11(14)15/h7-10,17H,4-6H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol?
(2R,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol has a molecular weight of 333.38 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol is sourced from PubChem (CID 99779451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).