1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol

C12H17NO4S — CID 155923753

IUPAC1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1ccc(CO)cc1)N1CCC(O)CC1
InChIInChI=1S/C12H17NO4S/c14-9-10-1-3-12(4-2-10)18(16,17)13-7-5-11(15)6-8-13/h1-4,11,14-15H,5-9H2
InChIKeyAXVJFUKVQJSRAS-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.32
Rot. Bonds3

About 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol

1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol (PubChem CID 155923753) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol
PubChem CID155923753
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1ccc(CO)cc1)N1CCC(O)CC1
InChIInChI=1S/C12H17NO4S/c14-9-10-1-3-12(4-2-10)18(16,17)13-7-5-11(15)6-8-13/h1-4,11,14-15H,5-9H2
InChIKeyAXVJFUKVQJSRAS-UHFFFAOYSA-N
XLogP0.32
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol?
The IUPAC name of 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol (CID 155923753) is 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol?
The canonical SMILES for 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol is O=S(=O)(c1ccc(CO)cc1)N1CCC(O)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol?
The InChIKey is AXVJFUKVQJSRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c14-9-10-1-3-12(4-2-10)18(16,17)13-7-5-11(15)6-8-13/h1-4,11,14-15H,5-9H2.
What are the key properties of 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol?
1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol has a molecular weight of 271.34 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol is sourced from PubChem (CID 155923753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).