[(2R)-1-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol

C16H23FN2O3S — CID 97415218

IUPAC[(2R)-1-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccccc1F)N1CCC(N2CCC[C@@H]2CO)CC1
InChIInChI=1S/C16H23FN2O3S/c17-15-5-1-2-6-16(15)23(21,22)18-10-7-13(8-11-18)19-9-3-4-14(19)12-20/h1-2,5-6,13-14,20H,3-4,7-12H2/t14-/m1/s1
InChIKeyXOXNBNBFFDBNBK-CQSZACIVSA-N
MW342.44 g/mol
LogP1.44
Rot. Bonds4

About [(2R)-1-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol

[(2R)-1-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 97415218) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is [(2R)-1-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID97415218
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name[(2R)-1-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccccc1F)N1CCC(N2CCC[C@@H]2CO)CC1
InChIInChI=1S/C16H23FN2O3S/c17-15-5-1-2-6-16(15)23(21,22)18-10-7-13(8-11-18)19-9-3-4-14(19)12-20/h1-2,5-6,13-14,20H,3-4,7-12H2/t14-/m1/s1
InChIKeyXOXNBNBFFDBNBK-CQSZACIVSA-N
XLogP1.44
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol (CID 97415218) is [(2R)-1-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol is O=S(=O)(c1ccccc1F)N1CCC(N2CCC[C@@H]2CO)CC1.
What is the InChIKey of [(2R)-1-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is XOXNBNBFFDBNBK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c17-15-5-1-2-6-16(15)23(21,22)18-10-7-13(8-11-18)19-9-3-4-14(19)12-20/h1-2,5-6,13-14,20H,3-4,7-12H2/t14-/m1/s1.
What are the key properties of [(2R)-1-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 342.44 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 97415218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).