methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate

C13H19NO2S — CID 16639184

IUPACmethyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1(Cc2cccs2)CCN(C)CC1
InChIInChI=1S/C13H19NO2S/c1-14-7-5-13(6-8-14,12(15)16-2)10-11-4-3-9-17-11/h3-4,9H,5-8,10H2,1-2H3
InChIKeyRANZQYIVGXXJDV-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.18
Rot. Bonds3

About methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate

methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate (PubChem CID 16639184) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate
PubChem CID16639184
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Namemethyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1(Cc2cccs2)CCN(C)CC1
InChIInChI=1S/C13H19NO2S/c1-14-7-5-13(6-8-14,12(15)16-2)10-11-4-3-9-17-11/h3-4,9H,5-8,10H2,1-2H3
InChIKeyRANZQYIVGXXJDV-UHFFFAOYSA-N
XLogP2.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate
CID 75484639
methyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate
CID 79857054
1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 67649784
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103992175
4-methyl-1-(thiophen-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 65394284
methyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate
CID 61001704
1,1-dioxo-3-(thiophen-2-ylmethyl)thiolane-3-carboxylic acid
CID 78991895
methyl 1-[(2S)-2-(butan-2-yloxycarbonylamino)-3-thiophen-2-ylpropanoyl]-4-[(4-phenylphenyl)methyl]piperidine-4-carboxylate
CID 150008705
N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide
CID 94700336
N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16886515
3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63140808
3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145705

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate (CID 16639184) is methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate is COC(=O)C1(Cc2cccs2)CCN(C)CC1.
What is the InChIKey of methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate?
The InChIKey is RANZQYIVGXXJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-14-7-5-13(6-8-14,12(15)16-2)10-11-4-3-9-17-11/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate?
methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate has a molecular weight of 253.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate is sourced from PubChem (CID 16639184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).