5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid

C13H20N2O2S — CID 103244365

IUPAC5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CNCCN2CCCCC2)s1
InChIInChI=1S/C13H20N2O2S/c16-13(17)12-5-4-11(18-12)10-14-6-9-15-7-2-1-3-8-15/h4-5,14H,1-3,6-10H2,(H,16,17)
InChIKeyJVZVMTNNVLATQE-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.02
Rot. Bonds6

About 5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid

5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid (PubChem CID 103244365) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid
PubChem CID103244365
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CNCCN2CCCCC2)s1
InChIInChI=1S/C13H20N2O2S/c16-13(17)12-5-4-11(18-12)10-14-6-9-15-7-2-1-3-8-15/h4-5,14H,1-3,6-10H2,(H,16,17)
InChIKeyJVZVMTNNVLATQE-UHFFFAOYSA-N
XLogP2.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

lithium;5-[2-(azepan-1-yl)ethyl]thiophene-2-carboxylic acid;hydride
CID 173001875
N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28654114
N-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43224626
2-[5-[(2-thiomorpholin-4-ylethylamino)methyl]thiophen-2-yl]acetic acid
CID 106324613
5-[[2-(4-chlorophenyl)ethylamino]methyl]thiophene-2-carboxylic acid
CID 20890227
5-[[(1-methylcyclohexyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 114095055
methyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate
CID 82886497
5-[[(3-methoxy-3-oxopropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103240357
5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103238410
5-[(3-hydroxybutylamino)methyl]thiophene-2-carboxylic acid
CID 103254166
4-[(2-pyrrolidin-1-ylethylamino)methyl]benzoic acid
CID 55097521
5-[(pent-3-ynylamino)methyl]thiophene-2-carboxylic acid
CID 103266554

Frequently Asked Questions

What is the IUPAC name of 5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid (CID 103244365) is 5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(CNCCN2CCCCC2)s1.
What is the InChIKey of 5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid?
The InChIKey is JVZVMTNNVLATQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c16-13(17)12-5-4-11(18-12)10-14-6-9-15-7-2-1-3-8-15/h4-5,14H,1-3,6-10H2,(H,16,17).
What are the key properties of 5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid?
5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid has a molecular weight of 268.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103244365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).