[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanol

C13H16F3NO4S — CID 66681804

IUPAC[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanol
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(CO)CC1
InChIInChI=1S/C13H16F3NO4S/c14-13(15,16)21-11-1-3-12(4-2-11)22(19,20)17-7-5-10(9-18)6-8-17/h1-4,10,18H,5-9H2
InChIKeyRVCKCLUKPAQUDD-UHFFFAOYSA-N
MW339.34 g/mol
LogP1.98
Rot. Bonds4

About [1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanol

[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanol (PubChem CID 66681804) has the molecular formula C13H16F3NO4S and a molecular weight of 339.34 g/mol. Its IUPAC name is [1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanol
PubChem CID66681804
Molecular FormulaC13H16F3NO4S
Molecular Weight339.34 g/mol
Exact Mass339.08
IUPAC Name[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanol
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(CO)CC1
InChIInChI=1S/C13H16F3NO4S/c14-13(15,16)21-11-1-3-12(4-2-11)22(19,20)17-7-5-10(9-18)6-8-17/h1-4,10,18H,5-9H2
InChIKeyRVCKCLUKPAQUDD-UHFFFAOYSA-N
XLogP1.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanol?
The IUPAC name of [1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanol (CID 66681804) is [1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanol is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(CO)CC1.
What is the InChIKey of [1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanol?
The InChIKey is RVCKCLUKPAQUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO4S/c14-13(15,16)21-11-1-3-12(4-2-11)22(19,20)17-7-5-10(9-18)6-8-17/h1-4,10,18H,5-9H2.
What are the key properties of [1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanol?
[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanol has a molecular weight of 339.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 66681804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).