1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one

C9H17NO4S — CID 115582876

IUPAC1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one
SMILESCC(C(=O)N1CCC(O)CC1)S(C)(=O)=O
InChIInChI=1S/C9H17NO4S/c1-7(15(2,13)14)9(12)10-5-3-8(11)4-6-10/h7-8,11H,3-6H2,1-2H3
InChIKeyFFHCSDDFAVAVTE-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.60
Rot. Bonds2

About 1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one

1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one (PubChem CID 115582876) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one
PubChem CID115582876
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one
SMILESCC(C(=O)N1CCC(O)CC1)S(C)(=O)=O
InChIInChI=1S/C9H17NO4S/c1-7(15(2,13)14)9(12)10-5-3-8(11)4-6-10/h7-8,11H,3-6H2,1-2H3
InChIKeyFFHCSDDFAVAVTE-UHFFFAOYSA-N
XLogP-0.60
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloropiperidin-1-yl)-2-methylsulfonylpropan-1-one
CID 104522220
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one
CID 114501575
3-[1-(2-methylsulfonylpropanoyl)piperidin-4-yl]oxypropanoic acid
CID 104517631
1-(3-amino-3-cyclopropylazetidin-1-yl)-2-methylsulfonylpropan-1-one
CID 104522521
2-methylsulfonyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 47039161
(2S)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95301170
3-methyl-1-(2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid
CID 102776307
2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 47003200
[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 67529442
(2S)-1-[(3R)-3-ethoxypiperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95191999
1-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methylsulfonylpropan-1-one
CID 104520615
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-methylsulfonylpropan-1-one
CID 104517904

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one (CID 115582876) is 1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one is CC(C(=O)N1CCC(O)CC1)S(C)(=O)=O.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one?
The InChIKey is FFHCSDDFAVAVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-7(15(2,13)14)9(12)10-5-3-8(11)4-6-10/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one?
1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one has a molecular weight of 235.30 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one is sourced from PubChem (CID 115582876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).