tert-butyl 4-(2-thiophen-2-ylethyl)piperidine-1-carboxylate

C16H25NO2S — CID 67754735

IUPACtert-butyl 4-(2-thiophen-2-ylethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCc2cccs2)CC1
InChIInChI=1S/C16H25NO2S/c1-16(2,3)19-15(18)17-10-8-13(9-11-17)6-7-14-5-4-12-20-14/h4-5,12-13H,6-11H2,1-3H3
InChIKeyGGSYGUWWIUVMOG-UHFFFAOYSA-N
MW295.45 g/mol
LogP4.33
Rot. Bonds3

About tert-butyl 4-(2-thiophen-2-ylethyl)piperidine-1-carboxylate

tert-butyl 4-(2-thiophen-2-ylethyl)piperidine-1-carboxylate (PubChem CID 67754735) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is tert-butyl 4-(2-thiophen-2-ylethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-thiophen-2-ylethyl)piperidine-1-carboxylate
PubChem CID67754735
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Nametert-butyl 4-(2-thiophen-2-ylethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCc2cccs2)CC1
InChIInChI=1S/C16H25NO2S/c1-16(2,3)19-15(18)17-10-8-13(9-11-17)6-7-14-5-4-12-20-14/h4-5,12-13H,6-11H2,1-3H3
InChIKeyGGSYGUWWIUVMOG-UHFFFAOYSA-N
XLogP4.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-thiophen-2-ylethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-thiophen-2-ylethyl)piperidine-1-carboxylate (CID 67754735) is tert-butyl 4-(2-thiophen-2-ylethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-thiophen-2-ylethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-thiophen-2-ylethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCc2cccs2)CC1.
What is the InChIKey of tert-butyl 4-(2-thiophen-2-ylethyl)piperidine-1-carboxylate?
The InChIKey is GGSYGUWWIUVMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-16(2,3)19-15(18)17-10-8-13(9-11-17)6-7-14-5-4-12-20-14/h4-5,12-13H,6-11H2,1-3H3.
What are the key properties of tert-butyl 4-(2-thiophen-2-ylethyl)piperidine-1-carboxylate?
tert-butyl 4-(2-thiophen-2-ylethyl)piperidine-1-carboxylate has a molecular weight of 295.45 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-thiophen-2-ylethyl)piperidine-1-carboxylate is sourced from PubChem (CID 67754735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).