2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine

C17H30N2S — CID 64842232

IUPAC2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine
SMILESCC(C)(C)C1CN(Cc2ccsc2)C(C(C)(C)C)CN1
InChIInChI=1S/C17H30N2S/c1-16(2,3)14-11-19(10-13-7-8-20-12-13)15(9-18-14)17(4,5)6/h7-8,12,14-15,18H,9-11H2,1-6H3
InChIKeyRIZCHSUWMPEJFD-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.98
Rot. Bonds2

About 2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine

2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine (PubChem CID 64842232) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine
PubChem CID64842232
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine
SMILESCC(C)(C)C1CN(Cc2ccsc2)C(C(C)(C)C)CN1
InChIInChI=1S/C17H30N2S/c1-16(2,3)14-11-19(10-13-7-8-20-12-13)15(9-18-14)17(4,5)6/h7-8,12,14-15,18H,9-11H2,1-6H3
InChIKeyRIZCHSUWMPEJFD-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64840895
5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64842067
1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine
CID 64843504
2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine
CID 64840995
3-tert-butyl-1-(2-thiophen-3-ylethyl)-1,4-diazepane
CID 64869318
2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine
CID 64845564
2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine
CID 64845947
2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64846089
2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64860254
1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine
CID 64839049
5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64847641
2,5-ditert-butyl-1-(2-methylsulfanylethyl)piperazine
CID 113474527

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of 2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine (CID 64842232) is 2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for 2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine is CC(C)(C)C1CN(Cc2ccsc2)C(C(C)(C)C)CN1.
What is the InChIKey of 2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine?
The InChIKey is RIZCHSUWMPEJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-16(2,3)14-11-19(10-13-7-8-20-12-13)15(9-18-14)17(4,5)6/h7-8,12,14-15,18H,9-11H2,1-6H3.
What are the key properties of 2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine?
2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine has a molecular weight of 294.51 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 64842232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).