tert-butyl 4-hydroxy-3-thiophen-2-ylpiperazine-1-carboxylate

C13H20N2O3S — CID 102172584

IUPACtert-butyl 4-hydroxy-3-thiophen-2-ylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(O)C(c2cccs2)C1
InChIInChI=1S/C13H20N2O3S/c1-13(2,3)18-12(16)14-6-7-15(17)10(9-14)11-5-4-8-19-11/h4-5,8,10,17H,6-7,9H2,1-3H3
InChIKeyZDEJWCSEPSBBCS-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.73
Rot. Bonds1

About tert-butyl 4-hydroxy-3-thiophen-2-ylpiperazine-1-carboxylate

tert-butyl 4-hydroxy-3-thiophen-2-ylpiperazine-1-carboxylate (PubChem CID 102172584) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-3-thiophen-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-3-thiophen-2-ylpiperazine-1-carboxylate
PubChem CID102172584
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Nametert-butyl 4-hydroxy-3-thiophen-2-ylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(O)C(c2cccs2)C1
InChIInChI=1S/C13H20N2O3S/c1-13(2,3)18-12(16)14-6-7-15(17)10(9-14)11-5-4-8-19-11/h4-5,8,10,17H,6-7,9H2,1-3H3
InChIKeyZDEJWCSEPSBBCS-UHFFFAOYSA-N
XLogP2.73
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 3-(thiophen-2-yl)piperazine-1-carboxylate
CID 2771741
Ethyl 4-(2-thienylmethyl)-1-piperazinecarboxylate
CID 783744
Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester
CID 3065860
tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 18377286
Tert-butyl (1-(thiophen-2-ylmethyl)piperidin-3-yl)carbamate
CID 46785877
tert-butyl 4-(aminomethyl)-4H,5H,6H,7H-thieno(3,2-c)pyridine-5-carboxylate
CID 146049782
tert-butyl N-[(3R)-3-amino-3-(thiophen-2-yl)propyl]-N-methylcarbamate
CID 155970858
Ethyl4-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxylate
CID 6456281
tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10706828
Tert-butyl 4-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxylate
CID 53420459
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264
Tert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate
CID 118013200

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-3-thiophen-2-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-3-thiophen-2-ylpiperazine-1-carboxylate (CID 102172584) is tert-butyl 4-hydroxy-3-thiophen-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-3-thiophen-2-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-3-thiophen-2-ylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(O)C(c2cccs2)C1.
What is the InChIKey of tert-butyl 4-hydroxy-3-thiophen-2-ylpiperazine-1-carboxylate?
The InChIKey is ZDEJWCSEPSBBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(2,3)18-12(16)14-6-7-15(17)10(9-14)11-5-4-8-19-11/h4-5,8,10,17H,6-7,9H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-3-thiophen-2-ylpiperazine-1-carboxylate?
tert-butyl 4-hydroxy-3-thiophen-2-ylpiperazine-1-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-3-thiophen-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 102172584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).