4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid

C14H21NO2S — CID 80727249

IUPAC4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1CN1CCCC(C)C1C
InChIInChI=1S/C14H21NO2S/c1-9-5-4-6-15(10(9)2)8-12-7-13(14(16)17)18-11(12)3/h7,9-10H,4-6,8H2,1-3H3,(H,16,17)
InChIKeyCWSKDUVGPXTVJY-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.38
Rot. Bonds3

About 4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid

4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 80727249) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
PubChem CID80727249
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1CN1CCCC(C)C1C
InChIInChI=1S/C14H21NO2S/c1-9-5-4-6-15(10(9)2)8-12-7-13(14(16)17)18-11(12)3/h7,9-10H,4-6,8H2,1-3H3,(H,16,17)
InChIKeyCWSKDUVGPXTVJY-UHFFFAOYSA-N
XLogP3.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid (CID 80727249) is 4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1CN1CCCC(C)C1C.
What is the InChIKey of 4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is CWSKDUVGPXTVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-9-5-4-6-15(10(9)2)8-12-7-13(14(16)17)18-11(12)3/h7,9-10H,4-6,8H2,1-3H3,(H,16,17).
What are the key properties of 4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid?
4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 267.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 80727249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).