(1-methoxypiperidin-4-yl) methanesulfonate

C7H15NO4S — CID 86663299

IUPAC(1-methoxypiperidin-4-yl) methanesulfonate
SMILESCON1CCC(OS(C)(=O)=O)CC1
InChIInChI=1S/C7H15NO4S/c1-11-8-5-3-7(4-6-8)12-13(2,9)10/h7H,3-6H2,1-2H3
InChIKeyIJGRFXOEBHXQDO-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.01
Rot. Bonds3

About (1-methoxypiperidin-4-yl) methanesulfonate

(1-methoxypiperidin-4-yl) methanesulfonate (PubChem CID 86663299) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is (1-methoxypiperidin-4-yl) methanesulfonate.

Molecular Properties

Compound Name(1-methoxypiperidin-4-yl) methanesulfonate
PubChem CID86663299
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name(1-methoxypiperidin-4-yl) methanesulfonate
SMILESCON1CCC(OS(C)(=O)=O)CC1
InChIInChI=1S/C7H15NO4S/c1-11-8-5-3-7(4-6-8)12-13(2,9)10/h7H,3-6H2,1-2H3
InChIKeyIJGRFXOEBHXQDO-UHFFFAOYSA-N
XLogP-0.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methoxypiperidin-4-yl) methanesulfonate?
The IUPAC name of (1-methoxypiperidin-4-yl) methanesulfonate (CID 86663299) is (1-methoxypiperidin-4-yl) methanesulfonate.
What is the SMILES notation for (1-methoxypiperidin-4-yl) methanesulfonate?
The canonical SMILES for (1-methoxypiperidin-4-yl) methanesulfonate is CON1CCC(OS(C)(=O)=O)CC1.
What is the InChIKey of (1-methoxypiperidin-4-yl) methanesulfonate?
The InChIKey is IJGRFXOEBHXQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-11-8-5-3-7(4-6-8)12-13(2,9)10/h7H,3-6H2,1-2H3.
What are the key properties of (1-methoxypiperidin-4-yl) methanesulfonate?
(1-methoxypiperidin-4-yl) methanesulfonate has a molecular weight of 209.27 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxypiperidin-4-yl) methanesulfonate is sourced from PubChem (CID 86663299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).