3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid

C13H19NO3S — CID 63973293

IUPAC3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
SMILESCOCC1CCN(Cc2ccsc2C(=O)O)CC1
InChIInChI=1S/C13H19NO3S/c1-17-9-10-2-5-14(6-3-10)8-11-4-7-18-12(11)13(15)16/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,15,16)
InChIKeyICJVWPUIEPFXRL-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.30
Rot. Bonds5

About 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid

3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid (PubChem CID 63973293) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
PubChem CID63973293
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
SMILESCOCC1CCN(Cc2ccsc2C(=O)O)CC1
InChIInChI=1S/C13H19NO3S/c1-17-9-10-2-5-14(6-3-10)8-11-4-7-18-12(11)13(15)16/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,15,16)
InChIKeyICJVWPUIEPFXRL-UHFFFAOYSA-N
XLogP2.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63641091
3-[(4-tert-butylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63639899
3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 138004005
3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophene-2-carboxylic acid
CID 63640940
4-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 107907966
3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 102767768
4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 63971622
1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine
CID 63973135
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophene-2-carboxylic acid
CID 115560430
3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63639861
N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 102737029
3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]thiophene-2-carboxylic acid
CID 98566283

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid (CID 63973293) is 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid is COCC1CCN(Cc2ccsc2C(=O)O)CC1.
What is the InChIKey of 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
The InChIKey is ICJVWPUIEPFXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-17-9-10-2-5-14(6-3-10)8-11-4-7-18-12(11)13(15)16/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,15,16).
What are the key properties of 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid has a molecular weight of 269.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63973293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).