[1-(hydroxymethylsulfonyl)-4-methylpiperidin-4-yl]methanol

C8H17NO4S — CID 58959838

IUPAC[1-(hydroxymethylsulfonyl)-4-methylpiperidin-4-yl]methanol
SMILESCC1(CO)CCN(S(=O)(=O)CO)CC1
InChIInChI=1S/C8H17NO4S/c1-8(6-10)2-4-9(5-3-8)14(12,13)7-11/h10-11H,2-7H2,1H3
InChIKeyBOCZHDGZPYVQLJ-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.64
Rot. Bonds3

About [1-(hydroxymethylsulfonyl)-4-methylpiperidin-4-yl]methanol

[1-(hydroxymethylsulfonyl)-4-methylpiperidin-4-yl]methanol (PubChem CID 58959838) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is [1-(hydroxymethylsulfonyl)-4-methylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethylsulfonyl)-4-methylpiperidin-4-yl]methanol
PubChem CID58959838
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name[1-(hydroxymethylsulfonyl)-4-methylpiperidin-4-yl]methanol
SMILESCC1(CO)CCN(S(=O)(=O)CO)CC1
InChIInChI=1S/C8H17NO4S/c1-8(6-10)2-4-9(5-3-8)14(12,13)7-11/h10-11H,2-7H2,1H3
InChIKeyBOCZHDGZPYVQLJ-UHFFFAOYSA-N
XLogP-0.64
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethylsulfonyl)-4-methylpiperidin-4-yl]methanol?
The IUPAC name of [1-(hydroxymethylsulfonyl)-4-methylpiperidin-4-yl]methanol (CID 58959838) is [1-(hydroxymethylsulfonyl)-4-methylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(hydroxymethylsulfonyl)-4-methylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(hydroxymethylsulfonyl)-4-methylpiperidin-4-yl]methanol is CC1(CO)CCN(S(=O)(=O)CO)CC1.
What is the InChIKey of [1-(hydroxymethylsulfonyl)-4-methylpiperidin-4-yl]methanol?
The InChIKey is BOCZHDGZPYVQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-8(6-10)2-4-9(5-3-8)14(12,13)7-11/h10-11H,2-7H2,1H3.
What are the key properties of [1-(hydroxymethylsulfonyl)-4-methylpiperidin-4-yl]methanol?
[1-(hydroxymethylsulfonyl)-4-methylpiperidin-4-yl]methanol has a molecular weight of 223.29 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethylsulfonyl)-4-methylpiperidin-4-yl]methanol is sourced from PubChem (CID 58959838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).