1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid

C12H22N2O5S — CID 60858430

IUPAC1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)N2CCC(CO)CC2)CC1
InChIInChI=1S/C12H22N2O5S/c15-9-10-1-5-13(6-2-10)20(18,19)14-7-3-11(4-8-14)12(16)17/h10-11,15H,1-9H2,(H,16,17)
InChIKeyOVTYUHAQADUTDN-UHFFFAOYSA-N
MW306.38 g/mol
LogP-0.27
Rot. Bonds4

About 1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid

1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid (PubChem CID 60858430) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid
PubChem CID60858430
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)N2CCC(CO)CC2)CC1
InChIInChI=1S/C12H22N2O5S/c15-9-10-1-5-13(6-2-10)20(18,19)14-7-3-11(4-8-14)12(16)17/h10-11,15H,1-9H2,(H,16,17)
InChIKeyOVTYUHAQADUTDN-UHFFFAOYSA-N
XLogP-0.27
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 60858591
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid
CID 60858592
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 5071683
1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid
CID 64568646
1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid
CID 60858617
[1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-4-yl]methanol
CID 54878650
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 114797288
1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 60857580
1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858282
1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid
CID 106359363
1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid
CID 106743942
1-(4-hydroxy-4-methylazepan-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 107404034

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid (CID 60858430) is 1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)N2CCC(CO)CC2)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid?
The InChIKey is OVTYUHAQADUTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c15-9-10-1-5-13(6-2-10)20(18,19)14-7-3-11(4-8-14)12(16)17/h10-11,15H,1-9H2,(H,16,17).
What are the key properties of 1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid?
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid has a molecular weight of 306.38 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 60858430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).