1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-3-ol

C12H15F2NO3S — CID 110018860

IUPAC1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-3-ol
SMILESO=S(=O)(Cc1ccc(F)cc1F)N1CCCC(O)C1
InChIInChI=1S/C12H15F2NO3S/c13-10-4-3-9(12(14)6-10)8-19(17,18)15-5-1-2-11(16)7-15/h3-4,6,11,16H,1-2,5,7-8H2
InChIKeyGKLUDXAGNXDSDO-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.25
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-3-ol

1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-3-ol (PubChem CID 110018860) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-3-ol
PubChem CID110018860
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-3-ol
SMILESO=S(=O)(Cc1ccc(F)cc1F)N1CCCC(O)C1
InChIInChI=1S/C12H15F2NO3S/c13-10-4-3-9(12(14)6-10)8-19(17,18)15-5-1-2-11(16)7-15/h3-4,6,11,16H,1-2,5,7-8H2
InChIKeyGKLUDXAGNXDSDO-UHFFFAOYSA-N
XLogP1.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-3-ol?
The IUPAC name of 1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-3-ol (CID 110018860) is 1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-3-ol.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-3-ol?
The canonical SMILES for 1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-3-ol is O=S(=O)(Cc1ccc(F)cc1F)N1CCCC(O)C1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-3-ol?
The InChIKey is GKLUDXAGNXDSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c13-10-4-3-9(12(14)6-10)8-19(17,18)15-5-1-2-11(16)7-15/h3-4,6,11,16H,1-2,5,7-8H2.
What are the key properties of 1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-3-ol?
1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-3-ol has a molecular weight of 291.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-3-ol is sourced from PubChem (CID 110018860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).