tert-butyl 3-thiophen-2-ylpiperidine-1-carboxylate

C14H21NO2S — CID 66623642

IUPACtert-butyl 3-thiophen-2-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2cccs2)C1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)17-13(16)15-8-4-6-11(10-15)12-7-5-9-18-12/h5,7,9,11H,4,6,8,10H2,1-3H3
InChIKeyLOMQSXHXDGPWTE-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.86
Rot. Bonds1

About tert-butyl 3-thiophen-2-ylpiperidine-1-carboxylate

tert-butyl 3-thiophen-2-ylpiperidine-1-carboxylate (PubChem CID 66623642) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is tert-butyl 3-thiophen-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-thiophen-2-ylpiperidine-1-carboxylate
PubChem CID66623642
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Nametert-butyl 3-thiophen-2-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2cccs2)C1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)17-13(16)15-8-4-6-11(10-15)12-7-5-9-18-12/h5,7,9,11H,4,6,8,10H2,1-3H3
InChIKeyLOMQSXHXDGPWTE-UHFFFAOYSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-thiophen-2-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-thiophen-2-ylpiperidine-1-carboxylate (CID 66623642) is tert-butyl 3-thiophen-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-thiophen-2-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-thiophen-2-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2cccs2)C1.
What is the InChIKey of tert-butyl 3-thiophen-2-ylpiperidine-1-carboxylate?
The InChIKey is LOMQSXHXDGPWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-14(2,3)17-13(16)15-8-4-6-11(10-15)12-7-5-9-18-12/h5,7,9,11H,4,6,8,10H2,1-3H3.
What are the key properties of tert-butyl 3-thiophen-2-ylpiperidine-1-carboxylate?
tert-butyl 3-thiophen-2-ylpiperidine-1-carboxylate has a molecular weight of 267.39 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-thiophen-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 66623642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).