2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol

C12H17NO4S — CID 81241911

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol
SMILESO=S(=O)(c1ccccc1O)N1CCC(CO)CC1
InChIInChI=1S/C12H17NO4S/c14-9-10-5-7-13(8-6-10)18(16,17)12-4-2-1-3-11(12)15/h1-4,10,14-15H,5-9H2
InChIKeyTVLQGVCWSKHIHH-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.79
Rot. Bonds3

About 2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol

2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol (PubChem CID 81241911) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol
PubChem CID81241911
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol
SMILESO=S(=O)(c1ccccc1O)N1CCC(CO)CC1
InChIInChI=1S/C12H17NO4S/c14-9-10-5-7-13(8-6-10)18(16,17)12-4-2-1-3-11(12)15/h1-4,10,14-15H,5-9H2
InChIKeyTVLQGVCWSKHIHH-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
CID 60956912
2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide
CID 43246304
3-[2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]prop-2-yn-1-ol
CID 60844241
2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol
CID 81241270
2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol
CID 81245578
2-morpholin-4-ylsulfonylphenol
CID 79020270
[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 66570215
[1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43258868
[1-(5-amino-2-ethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43256754
2-(3-pyridin-4-ylpyrrolidin-1-yl)sulfonylphenol
CID 155953521
4-(bromomethyl)-1-(2-bromophenyl)sulfonylpiperidine
CID 80668441
2-[4-(hydroxymethyl)piperidin-1-yl]phenol
CID 71530927

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol (CID 81241911) is 2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol is O=S(=O)(c1ccccc1O)N1CCC(CO)CC1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol?
The InChIKey is TVLQGVCWSKHIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c14-9-10-5-7-13(8-6-10)18(16,17)12-4-2-1-3-11(12)15/h1-4,10,14-15H,5-9H2.
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol?
2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol has a molecular weight of 271.34 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol is sourced from PubChem (CID 81241911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).