tert-butyl 4-(2-methylthiophen-3-yl)piperidine-1-carboxylate

C15H23NO2S — CID 58293794

IUPACtert-butyl 4-(2-methylthiophen-3-yl)piperidine-1-carboxylate
SMILESCc1sccc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H23NO2S/c1-11-13(7-10-19-11)12-5-8-16(9-6-12)14(17)18-15(2,3)4/h7,10,12H,5-6,8-9H2,1-4H3
InChIKeyBCAQPACKDAKKMI-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.17
Rot. Bonds1

About tert-butyl 4-(2-methylthiophen-3-yl)piperidine-1-carboxylate

tert-butyl 4-(2-methylthiophen-3-yl)piperidine-1-carboxylate (PubChem CID 58293794) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is tert-butyl 4-(2-methylthiophen-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methylthiophen-3-yl)piperidine-1-carboxylate
PubChem CID58293794
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Nametert-butyl 4-(2-methylthiophen-3-yl)piperidine-1-carboxylate
SMILESCc1sccc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H23NO2S/c1-11-13(7-10-19-11)12-5-8-16(9-6-12)14(17)18-15(2,3)4/h7,10,12H,5-6,8-9H2,1-4H3
InChIKeyBCAQPACKDAKKMI-UHFFFAOYSA-N
XLogP4.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(2-methylthiophen-3-yl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 18377286
Ethyl4-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxylate
CID 6456281
tert-Butyl 4-(thiophen-3-yl)piperidine-1-carboxylate
CID 53426264
tert-butyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)piperidine-1-carboxylate
CID 72149212
1,1-Dimethylethyl 2-fluoro-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate
CID 73554390
Tert-butyl 4-[5-(2-fluorophenyl)thiophen-2-yl]piperidine-1-carboxylate
CID 132221512
tert-butyl 4-(difluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 146571009
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
tert-butyl 4-[(1S)-1-(1-benzothiophen-2-yl)ethyl]piperidine-1-carboxylate
CID 71813213
Tert-butyl 4-amino-4-[2-(trifluoromethyl)thiophen-3-yl]piperidine-1-carboxylate
CID 165825017

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methylthiophen-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methylthiophen-3-yl)piperidine-1-carboxylate (CID 58293794) is tert-butyl 4-(2-methylthiophen-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methylthiophen-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methylthiophen-3-yl)piperidine-1-carboxylate is Cc1sccc1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-methylthiophen-3-yl)piperidine-1-carboxylate?
The InChIKey is BCAQPACKDAKKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11-13(7-10-19-11)12-5-8-16(9-6-12)14(17)18-15(2,3)4/h7,10,12H,5-6,8-9H2,1-4H3.
What are the key properties of tert-butyl 4-(2-methylthiophen-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-methylthiophen-3-yl)piperidine-1-carboxylate has a molecular weight of 281.42 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methylthiophen-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 58293794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).