tert-butyl 2,2-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxylate

C16H26N2O2S — CID 69065440

IUPACtert-butyl 2,2-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cc2cccs2)CC1(C)C
InChIInChI=1S/C16H26N2O2S/c1-15(2,3)20-14(19)18-9-8-17(12-16(18,4)5)11-13-7-6-10-21-13/h6-7,10H,8-9,11-12H2,1-5H3
InChIKeyRGFNIOFYWQHQIR-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.58
Rot. Bonds2

About tert-butyl 2,2-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxylate

tert-butyl 2,2-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxylate (PubChem CID 69065440) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
PubChem CID69065440
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Nametert-butyl 2,2-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cc2cccs2)CC1(C)C
InChIInChI=1S/C16H26N2O2S/c1-15(2,3)20-14(19)18-9-8-17(12-16(18,4)5)11-13-7-6-10-21-13/h6-7,10H,8-9,11-12H2,1-5H3
InChIKeyRGFNIOFYWQHQIR-UHFFFAOYSA-N
XLogP3.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2,2-dimethyl-4-(thiophen-2-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxylate (CID 69065440) is tert-butyl 2,2-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(Cc2cccs2)CC1(C)C.
What is the InChIKey of tert-butyl 2,2-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxylate?
The InChIKey is RGFNIOFYWQHQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-15(2,3)20-14(19)18-9-8-17(12-16(18,4)5)11-13-7-6-10-21-13/h6-7,10H,8-9,11-12H2,1-5H3.
What are the key properties of tert-butyl 2,2-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxylate?
tert-butyl 2,2-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxylate has a molecular weight of 310.46 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 69065440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).