4-benzyl-1-(2-fluorophenyl)sulfonylpiperidin-4-ol

C18H20FNO3S — CID 6733567

IUPAC4-benzyl-1-(2-fluorophenyl)sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1ccccc1F)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C18H20FNO3S/c19-16-8-4-5-9-17(16)24(22,23)20-12-10-18(21,11-13-20)14-15-6-2-1-3-7-15/h1-9,21H,10-14H2
InChIKeyDCTZLIPKUZZCGT-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.58
Rot. Bonds4

About 4-benzyl-1-(2-fluorophenyl)sulfonylpiperidin-4-ol

4-benzyl-1-(2-fluorophenyl)sulfonylpiperidin-4-ol (PubChem CID 6733567) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-benzyl-1-(2-fluorophenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name4-benzyl-1-(2-fluorophenyl)sulfonylpiperidin-4-ol
PubChem CID6733567
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name4-benzyl-1-(2-fluorophenyl)sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1ccccc1F)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C18H20FNO3S/c19-16-8-4-5-9-17(16)24(22,23)20-12-10-18(21,11-13-20)14-15-6-2-1-3-7-15/h1-9,21H,10-14H2
InChIKeyDCTZLIPKUZZCGT-UHFFFAOYSA-N
XLogP2.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2-fluorophenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 4-benzyl-1-(2-fluorophenyl)sulfonylpiperidin-4-ol (CID 6733567) is 4-benzyl-1-(2-fluorophenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 4-benzyl-1-(2-fluorophenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 4-benzyl-1-(2-fluorophenyl)sulfonylpiperidin-4-ol is O=S(=O)(c1ccccc1F)N1CCC(O)(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-(2-fluorophenyl)sulfonylpiperidin-4-ol?
The InChIKey is DCTZLIPKUZZCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c19-16-8-4-5-9-17(16)24(22,23)20-12-10-18(21,11-13-20)14-15-6-2-1-3-7-15/h1-9,21H,10-14H2.
What are the key properties of 4-benzyl-1-(2-fluorophenyl)sulfonylpiperidin-4-ol?
4-benzyl-1-(2-fluorophenyl)sulfonylpiperidin-4-ol has a molecular weight of 349.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(2-fluorophenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 6733567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).