1-(4-fluorophenyl)sulfonyl-4-pyridin-2-ylpiperidin-4-ol

C16H17FN2O3S — CID 16668258

IUPAC1-(4-fluorophenyl)sulfonyl-4-pyridin-2-ylpiperidin-4-ol
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C16H17FN2O3S/c17-13-4-6-14(7-5-13)23(21,22)19-11-8-16(20,9-12-19)15-3-1-2-10-18-15/h1-7,10,20H,8-9,11-12H2
InChIKeyLWULBQLOLLVYTI-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.89
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-4-pyridin-2-ylpiperidin-4-ol

1-(4-fluorophenyl)sulfonyl-4-pyridin-2-ylpiperidin-4-ol (PubChem CID 16668258) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-pyridin-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-pyridin-2-ylpiperidin-4-ol
PubChem CID16668258
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-pyridin-2-ylpiperidin-4-ol
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C16H17FN2O3S/c17-13-4-6-14(7-5-13)23(21,22)19-11-8-16(20,9-12-19)15-3-1-2-10-18-15/h1-7,10,20H,8-9,11-12H2
InChIKeyLWULBQLOLLVYTI-UHFFFAOYSA-N
XLogP1.89
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-pyridin-2-ylpiperidin-4-ol?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-pyridin-2-ylpiperidin-4-ol (CID 16668258) is 1-(4-fluorophenyl)sulfonyl-4-pyridin-2-ylpiperidin-4-ol.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-pyridin-2-ylpiperidin-4-ol?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-pyridin-2-ylpiperidin-4-ol is O=S(=O)(c1ccc(F)cc1)N1CCC(O)(c2ccccn2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-pyridin-2-ylpiperidin-4-ol?
The InChIKey is LWULBQLOLLVYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c17-13-4-6-14(7-5-13)23(21,22)19-11-8-16(20,9-12-19)15-3-1-2-10-18-15/h1-7,10,20H,8-9,11-12H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-pyridin-2-ylpiperidin-4-ol?
1-(4-fluorophenyl)sulfonyl-4-pyridin-2-ylpiperidin-4-ol has a molecular weight of 336.39 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-pyridin-2-ylpiperidin-4-ol is sourced from PubChem (CID 16668258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).