1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine

C12H17NO4S — CID 122445486

IUPAC1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)C2CCN(O)CC2)cc1
InChIInChI=1S/C12H17NO4S/c1-17-10-2-4-11(5-3-10)18(15,16)12-6-8-13(14)9-7-12/h2-5,12,14H,6-9H2,1H3
InChIKeyZEDXAMMBHLVPSX-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.32
Rot. Bonds3

About 1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine

1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine (PubChem CID 122445486) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
PubChem CID122445486
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)C2CCN(O)CC2)cc1
InChIInChI=1S/C12H17NO4S/c1-17-10-2-4-11(5-3-10)18(15,16)12-6-8-13(14)9-7-12/h2-5,12,14H,6-9H2,1H3
InChIKeyZEDXAMMBHLVPSX-UHFFFAOYSA-N
XLogP1.32
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine
CID 90592067
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
2,2,3,3,4,4,4-heptafluoro-1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]butan-1-one
CID 90591890
N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
CID 90591984
1-[2-(4-methoxyphenyl)ethylsulfonyl]-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592047
4,4,4-trifluoro-1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]butan-1-one
CID 90591882
furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591686
[(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 97417332
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 90591694
N-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
CID 90591979
(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591909
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone
CID 90591931

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine?
The IUPAC name of 1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine (CID 122445486) is 1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine is COc1ccc(S(=O)(=O)C2CCN(O)CC2)cc1.
What is the InChIKey of 1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine?
The InChIKey is ZEDXAMMBHLVPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-17-10-2-4-11(5-3-10)18(15,16)12-6-8-13(14)9-7-12/h2-5,12,14H,6-9H2,1H3.
What are the key properties of 1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine?
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine has a molecular weight of 271.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 122445486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).