5-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid

C11H15NO2S — CID 83823356

IUPAC5-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid
SMILESCN1CCC(c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C11H15NO2S/c1-12-6-4-8(5-7-12)9-2-3-10(15-9)11(13)14/h2-3,8H,4-7H2,1H3,(H,13,14)
InChIKeyNZXHPTNZOWJHKD-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.26
Rot. Bonds2

About 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid

5-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid (PubChem CID 83823356) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid
PubChem CID83823356
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name5-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid
SMILESCN1CCC(c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C11H15NO2S/c1-12-6-4-8(5-7-12)9-2-3-10(15-9)11(13)14/h2-3,8H,4-7H2,1H3,(H,13,14)
InChIKeyNZXHPTNZOWJHKD-UHFFFAOYSA-N
XLogP2.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid (CID 83823356) is 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid is CN1CCC(c2ccc(C(=O)O)s2)CC1.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid?
The InChIKey is NZXHPTNZOWJHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-12-6-4-8(5-7-12)9-2-3-10(15-9)11(13)14/h2-3,8H,4-7H2,1H3,(H,13,14).
What are the key properties of 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid?
5-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 83823356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).