thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate

C12H17NO2S — CID 106743801

IUPACthiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate
SMILESCC1CC(C(=O)OCc2cccs2)CCN1
InChIInChI=1S/C12H17NO2S/c1-9-7-10(4-5-13-9)12(14)15-8-11-3-2-6-16-11/h2-3,6,9-10,13H,4-5,7-8H2,1H3
InChIKeyKIBCZGITGKJRKI-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.18
Rot. Bonds3

About thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate

thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate (PubChem CID 106743801) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Namethiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate
PubChem CID106743801
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Namethiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate
SMILESCC1CC(C(=O)OCc2cccs2)CCN1
InChIInChI=1S/C12H17NO2S/c1-9-7-10(4-5-13-9)12(14)15-8-11-3-2-6-16-11/h2-3,6,9-10,13H,4-5,7-8H2,1H3
InChIKeyKIBCZGITGKJRKI-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

thiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate
CID 66031603
benzyl (2S)-2-methylpiperidine-4-carboxylate
CID 58583746
thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate
CID 78923175
(2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 120636609
(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120634795
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 120617754
thiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate
CID 64816874
(2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634916
(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120634827
butyl 2-methylpiperidine-4-carboxylate
CID 106743768
3,3-dimethylbutyl 2-methylpiperidine-4-carboxylate
CID 106743813
1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
CID 116592024

Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate?
The IUPAC name of thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate (CID 106743801) is thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate.
What is the SMILES notation for thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate?
The canonical SMILES for thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate is CC1CC(C(=O)OCc2cccs2)CCN1.
What is the InChIKey of thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate?
The InChIKey is KIBCZGITGKJRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9-7-10(4-5-13-9)12(14)15-8-11-3-2-6-16-11/h2-3,6,9-10,13H,4-5,7-8H2,1H3.
What are the key properties of thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate?
thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate has a molecular weight of 239.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate is sourced from PubChem (CID 106743801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).