4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole

C12H20N2OS — CID 56724408

IUPAC4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOCC1CCCN(Cc2csc(C)n2)C1
InChIInChI=1S/C12H20N2OS/c1-10-13-12(9-16-10)7-14-5-3-4-11(6-14)8-15-2/h9,11H,3-8H2,1-2H3
InChIKeyCLIVNVKMXYQQEE-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.31
Rot. Bonds4

About 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 56724408) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID56724408
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOCC1CCCN(Cc2csc(C)n2)C1
InChIInChI=1S/C12H20N2OS/c1-10-13-12(9-16-10)7-14-5-3-4-11(6-14)8-15-2/h9,11H,3-8H2,1-2H3
InChIKeyCLIVNVKMXYQQEE-UHFFFAOYSA-N
XLogP2.31
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 56724408) is 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole is COCC1CCCN(Cc2csc(C)n2)C1.
What is the InChIKey of 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is CLIVNVKMXYQQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10-13-12(9-16-10)7-14-5-3-4-11(6-14)8-15-2/h9,11H,3-8H2,1-2H3.
What are the key properties of 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 240.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 56724408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).