2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid

C13H19NO2S — CID 104598702

IUPAC2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1CCc1ccsc1
InChIInChI=1S/C13H19NO2S/c1-13(12(15)16)6-2-3-7-14(13)8-4-11-5-9-17-10-11/h5,9-10H,2-4,6-8H2,1H3,(H,15,16)
InChIKeyPOGVILPFCDSPSQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.62
Rot. Bonds4

About 2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid

2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid (PubChem CID 104598702) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid
PubChem CID104598702
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1CCc1ccsc1
InChIInChI=1S/C13H19NO2S/c1-13(12(15)16)6-2-3-7-14(13)8-4-11-5-9-17-10-11/h5,9-10H,2-4,6-8H2,1H3,(H,15,16)
InChIKeyPOGVILPFCDSPSQ-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
CID 83080277
2-propyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
CID 106978911
2-methyl-1-(2-phenylsulfanylethyl)piperidine-2-carboxylic acid
CID 104598722
1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one
CID 114972116
2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid
CID 104598838
2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 113431089
2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64832567
1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid
CID 66025291
1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 120539458
1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65390404
4-methyl-1-(2-thiophen-3-ylethyl)piperidine-4-carbothioamide
CID 107161580
1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 116570036

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid (CID 104598702) is 2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1CCc1ccsc1.
What is the InChIKey of 2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid?
The InChIKey is POGVILPFCDSPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-13(12(15)16)6-2-3-7-14(13)8-4-11-5-9-17-10-11/h5,9-10H,2-4,6-8H2,1H3,(H,15,16).
What are the key properties of 2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid?
2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid has a molecular weight of 253.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104598702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).