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

C15H23NO2S — CID 67027249

IUPACtert-butyl 4-(4-methylthiophen-2-yl)piperidine-1-carboxylate
SMILESCc1csc(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C15H23NO2S/c1-11-9-13(19-10-11)12-5-7-16(8-6-12)14(17)18-15(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyWZDZVQLQHHEKAS-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.17
Rot. Bonds1

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

tert-butyl 4-(4-methylthiophen-2-yl)piperidine-1-carboxylate (PubChem CID 67027249) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is tert-butyl 4-(4-methylthiophen-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-methylthiophen-2-yl)piperidine-1-carboxylate
PubChem CID67027249
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Nametert-butyl 4-(4-methylthiophen-2-yl)piperidine-1-carboxylate
SMILESCc1csc(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C15H23NO2S/c1-11-9-13(19-10-11)12-5-7-16(8-6-12)14(17)18-15(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyWZDZVQLQHHEKAS-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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methylthiophen-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-methylthiophen-2-yl)piperidine-1-carboxylate (CID 67027249) is tert-butyl 4-(4-methylthiophen-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-methylthiophen-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-methylthiophen-2-yl)piperidine-1-carboxylate is Cc1csc(C2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-(4-methylthiophen-2-yl)piperidine-1-carboxylate?
The InChIKey is WZDZVQLQHHEKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11-9-13(19-10-11)12-5-7-16(8-6-12)14(17)18-15(2,3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-(4-methylthiophen-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-methylthiophen-2-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-(4-methylthiophen-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 67027249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).