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

C14H22N2O2S — CID 162407794

IUPACtert-butyl 4-methyl-3-thiophen-2-ylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC(C)(C)C)CC1c1cccs1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)18-13(17)16-8-7-15(4)11(10-16)12-6-5-9-19-12/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyNBOSWZSVBMYTDF-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.97
Rot. Bonds1

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

tert-butyl 4-methyl-3-thiophen-2-ylpiperazine-1-carboxylate (PubChem CID 162407794) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is tert-butyl 4-methyl-3-thiophen-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-3-thiophen-2-ylpiperazine-1-carboxylate
PubChem CID162407794
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nametert-butyl 4-methyl-3-thiophen-2-ylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC(C)(C)C)CC1c1cccs1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)18-13(17)16-8-7-15(4)11(10-16)12-6-5-9-19-12/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyNBOSWZSVBMYTDF-UHFFFAOYSA-N
XLogP2.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
5-((4-Boc-piperazine)methyl)-2-thiopheneboronic acid pinacol ester
CID 71306490
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
1-{4-[(Thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
CID 60655566
Ethyl4-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxylate
CID 6456281
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10706828

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-3-thiophen-2-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-3-thiophen-2-ylpiperazine-1-carboxylate (CID 162407794) is tert-butyl 4-methyl-3-thiophen-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-3-thiophen-2-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-3-thiophen-2-ylpiperazine-1-carboxylate is CN1CCN(C(=O)OC(C)(C)C)CC1c1cccs1.
What is the InChIKey of tert-butyl 4-methyl-3-thiophen-2-ylpiperazine-1-carboxylate?
The InChIKey is NBOSWZSVBMYTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(2,3)18-13(17)16-8-7-15(4)11(10-16)12-6-5-9-19-12/h5-6,9,11H,7-8,10H2,1-4H3.
What are the key properties of tert-butyl 4-methyl-3-thiophen-2-ylpiperazine-1-carboxylate?
tert-butyl 4-methyl-3-thiophen-2-ylpiperazine-1-carboxylate has a molecular weight of 282.41 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-3-thiophen-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 162407794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).