[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol

C13H19NO4S — CID 102970801

IUPAC[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
SMILESCOC1CCCN(S(=O)(=O)c2ccc(CO)cc2)C1
InChIInChI=1S/C13H19NO4S/c1-18-12-3-2-8-14(9-12)19(16,17)13-6-4-11(10-15)5-7-13/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyHOWQAGGJIMUCFD-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.98
Rot. Bonds4

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

[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol (PubChem CID 102970801) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is [4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol.

Molecular Properties

Compound Name[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
PubChem CID102970801
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
SMILESCOC1CCCN(S(=O)(=O)c2ccc(CO)cc2)C1
InChIInChI=1S/C13H19NO4S/c1-18-12-3-2-8-14(9-12)19(16,17)13-6-4-11(10-15)5-7-13/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyHOWQAGGJIMUCFD-UHFFFAOYSA-N
XLogP0.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol
CID 102970802
1-[4-(bromomethyl)phenyl]sulfonyl-3-methoxypiperidine
CID 102963933
[4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol
CID 106589877
[4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970851
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine
CID 103697564
3-[3-(3-methoxypiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 102964098
N-[[4-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine
CID 103535331
[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol
CID 102970866
[1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 110294898
2-[4-(3-ethoxypiperidin-1-yl)sulfonylphenyl]acetonitrile
CID 79186274

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol?
The IUPAC name of [4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol (CID 102970801) is [4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol.
What is the SMILES notation for [4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol?
The canonical SMILES for [4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol is COC1CCCN(S(=O)(=O)c2ccc(CO)cc2)C1.
What is the InChIKey of [4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol?
The InChIKey is HOWQAGGJIMUCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-18-12-3-2-8-14(9-12)19(16,17)13-6-4-11(10-15)5-7-13/h4-7,12,15H,2-3,8-10H2,1H3.
What are the key properties of [4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol?
[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol has a molecular weight of 285.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol is sourced from PubChem (CID 102970801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).