2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol

C15H23NO4S — CID 102970782

IUPAC2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol
SMILESCOC1CN(S(=O)(=O)c2ccc(CCO)cc2)CCC1C
InChIInChI=1S/C15H23NO4S/c1-12-7-9-16(11-15(12)20-2)21(18,19)14-5-3-13(4-6-14)8-10-17/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyROQJOBULQISVSD-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.27
Rot. Bonds5

About 2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol

2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol (PubChem CID 102970782) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol.

Molecular Properties

Compound Name2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol
PubChem CID102970782
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol
SMILESCOC1CN(S(=O)(=O)c2ccc(CCO)cc2)CCC1C
InChIInChI=1S/C15H23NO4S/c1-12-7-9-16(11-15(12)20-2)21(18,19)14-5-3-13(4-6-14)8-10-17/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyROQJOBULQISVSD-UHFFFAOYSA-N
XLogP1.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 102675663
[4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol
CID 102970770
[4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol
CID 102970791
[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919652
3-[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol
CID 102970802
1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680539
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol
CID 102956939
3-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-4-methylthiophene-2-carboxylic acid
CID 102956770
1-[4-(2-hydroxyethyl)phenyl]-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]thiourea
CID 17349490
3-[4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]propanoic acid
CID 61226806
3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol
CID 114679139

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol?
The IUPAC name of 2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol (CID 102970782) is 2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol.
What is the SMILES notation for 2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol?
The canonical SMILES for 2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol is COC1CN(S(=O)(=O)c2ccc(CCO)cc2)CCC1C.
What is the InChIKey of 2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol?
The InChIKey is ROQJOBULQISVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-12-7-9-16(11-15(12)20-2)21(18,19)14-5-3-13(4-6-14)8-10-17/h3-6,12,15,17H,7-11H2,1-2H3.
What are the key properties of 2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol?
2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol has a molecular weight of 313.42 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol is sourced from PubChem (CID 102970782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).