1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-4-ol

C14H21NO4S — CID 51108027

IUPAC1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-4-ol
SMILESCOc1cccc(S(=O)(=O)CCN2CCC(O)CC2)c1
InChIInChI=1S/C14H21NO4S/c1-19-13-3-2-4-14(11-13)20(17,18)10-9-15-7-5-12(16)6-8-15/h2-4,11-12,16H,5-10H2,1H3
InChIKeyLMLBMQIKVREREM-UHFFFAOYSA-N
MW299.39 g/mol
LogP0.93
Rot. Bonds5

About 1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-4-ol

1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-4-ol (PubChem CID 51108027) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-4-ol
PubChem CID51108027
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-4-ol
SMILESCOc1cccc(S(=O)(=O)CCN2CCC(O)CC2)c1
InChIInChI=1S/C14H21NO4S/c1-19-13-3-2-4-14(11-13)20(17,18)10-9-15-7-5-12(16)6-8-15/h2-4,11-12,16H,5-10H2,1H3
InChIKeyLMLBMQIKVREREM-UHFFFAOYSA-N
XLogP0.93
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-4-ol?
The IUPAC name of 1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-4-ol (CID 51108027) is 1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-4-ol is COc1cccc(S(=O)(=O)CCN2CCC(O)CC2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-4-ol?
The InChIKey is LMLBMQIKVREREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-19-13-3-2-4-14(11-13)20(17,18)10-9-15-7-5-12(16)6-8-15/h2-4,11-12,16H,5-10H2,1H3.
What are the key properties of 1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-4-ol?
1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-4-ol has a molecular weight of 299.39 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-4-ol is sourced from PubChem (CID 51108027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).