5-(piperidin-1-ylmethyl)thiophene-2-carboxylic acid;hydrochloride

C11H16ClNO2S — CID 54595872

IUPAC5-(piperidin-1-ylmethyl)thiophene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(CN2CCCCC2)s1
InChIInChI=1S/C11H15NO2S.ClH/c13-11(14)10-5-4-9(15-10)8-12-6-2-1-3-7-12;/h4-5H,1-3,6-8H2,(H,13,14);1H
InChIKeyBKFMWUJDRISCGU-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.85
Rot. Bonds3

About 5-(piperidin-1-ylmethyl)thiophene-2-carboxylic acid;hydrochloride

5-(piperidin-1-ylmethyl)thiophene-2-carboxylic acid;hydrochloride (PubChem CID 54595872) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)thiophene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)thiophene-2-carboxylic acid;hydrochloride
PubChem CID54595872
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name5-(piperidin-1-ylmethyl)thiophene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(CN2CCCCC2)s1
InChIInChI=1S/C11H15NO2S.ClH/c13-11(14)10-5-4-9(15-10)8-12-6-2-1-3-7-12;/h4-5H,1-3,6-8H2,(H,13,14);1H
InChIKeyBKFMWUJDRISCGU-UHFFFAOYSA-N
XLogP2.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)thiophene-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-(piperidin-1-ylmethyl)thiophene-2-carboxylic acid;hydrochloride (CID 54595872) is 5-(piperidin-1-ylmethyl)thiophene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)thiophene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(piperidin-1-ylmethyl)thiophene-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc(CN2CCCCC2)s1.
What is the InChIKey of 5-(piperidin-1-ylmethyl)thiophene-2-carboxylic acid;hydrochloride?
The InChIKey is BKFMWUJDRISCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S.ClH/c13-11(14)10-5-4-9(15-10)8-12-6-2-1-3-7-12;/h4-5H,1-3,6-8H2,(H,13,14);1H.
What are the key properties of 5-(piperidin-1-ylmethyl)thiophene-2-carboxylic acid;hydrochloride?
5-(piperidin-1-ylmethyl)thiophene-2-carboxylic acid;hydrochloride has a molecular weight of 261.77 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)thiophene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 54595872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).