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

C12H17NO2S — CID 110289476

IUPACmethyl 4-(thiophen-2-ylmethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C12H17NO2S/c1-15-12(14)13-6-4-10(5-7-13)9-11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyFLNDWUFGYPMOHO-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.77
Rot. Bonds2

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

methyl 4-(thiophen-2-ylmethyl)piperidine-1-carboxylate (PubChem CID 110289476) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is methyl 4-(thiophen-2-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(thiophen-2-ylmethyl)piperidine-1-carboxylate
PubChem CID110289476
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Namemethyl 4-(thiophen-2-ylmethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C12H17NO2S/c1-15-12(14)13-6-4-10(5-7-13)9-11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyFLNDWUFGYPMOHO-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 7-thiophen-2-yl-1,4-thiazepane-4-carboxylate
CID 155511200
methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
CID 145714287
Ethyl 4-(2-(thiophen-2-yl)cyclopropanecarbonyl)piperazine-1-carboxylate
CID 45588024
Cyclopropyl(4-(thiophen-2-yl)piperidin-1-yl)methanone
CID 71786834
Methyl (2-(4-(thiophen-2-yl)piperidin-1-yl)ethyl)carbamate
CID 71787067
Ethyl 4-(2-(4-(thiophen-2-yl)piperidin-1-yl)acetyl)piperazine-1-carboxylate
CID 71801932
Methyl 3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidine-1-carboxylate
CID 18364738
1-Methoxycarbonyl-3-(R)-(4-(4-fluorophenyl)piperidinylmethyl)-4-(R)-(3-thienyl)pyrrolidine
CID 20694319
Tert-butyl 4,4-difluoro-3-thiophen-2-ylpiperidine-1-carboxylate
CID 166519232
4-[3-(Trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid
CID 174663853
Tert-butyl 3-[[5-(3-fluorophenyl)thiophen-3-yl]methyl]piperidine-1-carboxylate
CID 174674202
2-Methoxy-1-(4-(thiophen-2-yl)piperidin-1-yl)ethanone
CID 71786835

Frequently Asked Questions

What is the IUPAC name of methyl 4-(thiophen-2-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(thiophen-2-ylmethyl)piperidine-1-carboxylate (CID 110289476) is methyl 4-(thiophen-2-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(thiophen-2-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(thiophen-2-ylmethyl)piperidine-1-carboxylate is COC(=O)N1CCC(Cc2cccs2)CC1.
What is the InChIKey of methyl 4-(thiophen-2-ylmethyl)piperidine-1-carboxylate?
The InChIKey is FLNDWUFGYPMOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-15-12(14)13-6-4-10(5-7-13)9-11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of methyl 4-(thiophen-2-ylmethyl)piperidine-1-carboxylate?
methyl 4-(thiophen-2-ylmethyl)piperidine-1-carboxylate has a molecular weight of 239.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(thiophen-2-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 110289476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).