[3-(2-methoxyethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol

C12H25NO4S — CID 72889959

IUPAC[3-(2-methoxyethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
SMILESCOCCC1(CO)CCCN(CCS(C)(=O)=O)C1
InChIInChI=1S/C12H25NO4S/c1-17-8-5-12(11-14)4-3-6-13(10-12)7-9-18(2,15)16/h14H,3-11H2,1-2H3
InChIKeyNOGDPFVJOJVZEB-UHFFFAOYSA-N
MW279.40 g/mol
LogP0.14
Rot. Bonds7

About [3-(2-methoxyethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol

[3-(2-methoxyethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol (PubChem CID 72889959) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is [3-(2-methoxyethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(2-methoxyethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
PubChem CID72889959
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Name[3-(2-methoxyethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
SMILESCOCCC1(CO)CCCN(CCS(C)(=O)=O)C1
InChIInChI=1S/C12H25NO4S/c1-17-8-5-12(11-14)4-3-6-13(10-12)7-9-18(2,15)16/h14H,3-11H2,1-2H3
InChIKeyNOGDPFVJOJVZEB-UHFFFAOYSA-N
XLogP0.14
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol?
The IUPAC name of [3-(2-methoxyethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol (CID 72889959) is [3-(2-methoxyethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-(2-methoxyethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-(2-methoxyethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol is COCCC1(CO)CCCN(CCS(C)(=O)=O)C1.
What is the InChIKey of [3-(2-methoxyethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol?
The InChIKey is NOGDPFVJOJVZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-17-8-5-12(11-14)4-3-6-13(10-12)7-9-18(2,15)16/h14H,3-11H2,1-2H3.
What are the key properties of [3-(2-methoxyethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol?
[3-(2-methoxyethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol has a molecular weight of 279.40 g/mol, XLogP of 0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 72889959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).