tert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate

C13H19FN2O2S — CID 118013200

IUPACtert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(c2ccc(F)s2)C1
InChIInChI=1S/C13H19FN2O2S/c1-13(2,3)18-12(17)16-7-6-15-9(8-16)10-4-5-11(14)19-10/h4-5,9,15H,6-8H2,1-3H3
InChIKeyIGWAOJSQQSZQQL-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.77
Rot. Bonds1

About tert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate

tert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate (PubChem CID 118013200) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate
PubChem CID118013200
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Nametert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(c2ccc(F)s2)C1
InChIInChI=1S/C13H19FN2O2S/c1-13(2,3)18-12(17)16-7-6-15-9(8-16)10-4-5-11(14)19-10/h4-5,9,15H,6-8H2,1-3H3
InChIKeyIGWAOJSQQSZQQL-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(5-fluorothiophen-2-yl)piperazine-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

Ethyl 3-(thiophen-2-yl)piperazine-1-carboxylate
CID 2771741
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
methyl N-methyl-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]carbamate
CID 93619531
2-Amino-1-[4-[(5-ethylthiophen-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 121563807
tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate
CID 146570715
tert-butyl (4R)-2-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 148027357
tert-butyl N-[(5-aminosulfanyl-4-fluorothiophen-2-yl)methyl]-N-cyclobutylcarbamate
CID 153590267
CID 156845165
CID 156845165
tert-butyl N-[(4,4-difluoro-6,7-dihydro-5H-thieno[2,3-c]pyridin-7-yl)methyl]carbamate
CID 171786830
Tert-butyl 4-hydroxy-3-thiophen-2-ylpiperazine-1-carboxylate
CID 102172584

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate (CID 118013200) is tert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNC(c2ccc(F)s2)C1.
What is the InChIKey of tert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate?
The InChIKey is IGWAOJSQQSZQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-13(2,3)18-12(17)16-7-6-15-9(8-16)10-4-5-11(14)19-10/h4-5,9,15H,6-8H2,1-3H3.
What are the key properties of tert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate?
tert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 118013200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).