[4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol

C14H21NO4S — CID 106589877

IUPAC[4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol
SMILESCOCC1CCCN(S(=O)(=O)c2ccc(CO)cc2)C1
InChIInChI=1S/C14H21NO4S/c1-19-11-13-3-2-8-15(9-13)20(17,18)14-6-4-12(10-16)5-7-14/h4-7,13,16H,2-3,8-11H2,1H3
InChIKeyYCCWYTFVFOPPCD-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.23
Rot. Bonds5

About [4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol

[4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol (PubChem CID 106589877) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is [4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol.

Molecular Properties

Compound Name[4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol
PubChem CID106589877
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name[4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol
SMILESCOCC1CCCN(S(=O)(=O)c2ccc(CO)cc2)C1
InChIInChI=1S/C14H21NO4S/c1-19-11-13-3-2-8-15(9-13)20(17,18)14-6-4-12(10-16)5-7-14/h4-7,13,16H,2-3,8-11H2,1H3
InChIKeyYCCWYTFVFOPPCD-UHFFFAOYSA-N
XLogP1.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
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N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106588733
1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine
CID 110869927
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 64570002
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121092334
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol
CID 43590128
1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715228
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine
CID 55210776

Frequently Asked Questions

What is the IUPAC name of [4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol?
The IUPAC name of [4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol (CID 106589877) is [4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol.
What is the SMILES notation for [4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol?
The canonical SMILES for [4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol is COCC1CCCN(S(=O)(=O)c2ccc(CO)cc2)C1.
What is the InChIKey of [4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol?
The InChIKey is YCCWYTFVFOPPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-19-11-13-3-2-8-15(9-13)20(17,18)14-6-4-12(10-16)5-7-14/h4-7,13,16H,2-3,8-11H2,1H3.
What are the key properties of [4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol?
[4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol has a molecular weight of 299.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol is sourced from PubChem (CID 106589877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).