2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine

C16H28N2S — CID 64846151

IUPAC2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine
SMILESCCc1ccc(CN2CC(C)NCC2C(C)(C)C)s1
InChIInChI=1S/C16H28N2S/c1-6-13-7-8-14(19-13)11-18-10-12(2)17-9-15(18)16(3,4)5/h7-8,12,15,17H,6,9-11H2,1-5H3
InChIKeyBJXIQCBELIECMQ-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.52
Rot. Bonds3

About 2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine

2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine (PubChem CID 64846151) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine
PubChem CID64846151
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine
SMILESCCc1ccc(CN2CC(C)NCC2C(C)(C)C)s1
InChIInChI=1S/C16H28N2S/c1-6-13-7-8-14(19-13)11-18-10-12(2)17-9-15(18)16(3,4)5/h7-8,12,15,17H,6,9-11H2,1-5H3
InChIKeyBJXIQCBELIECMQ-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine
CID 64845564
2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64839737
2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine
CID 64845947
2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64844009
2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64844786
1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine
CID 64846473
2-tert-butyl-5-methyl-1-pentylpiperazine
CID 64844984
2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine
CID 64845180
2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64844981
2-tert-butyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-5-methylpiperazine
CID 79205844
3-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane
CID 64869919
2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine
CID 64849112

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine?
The IUPAC name of 2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine (CID 64846151) is 2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine?
The canonical SMILES for 2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine is CCc1ccc(CN2CC(C)NCC2C(C)(C)C)s1.
What is the InChIKey of 2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine?
The InChIKey is BJXIQCBELIECMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-6-13-7-8-14(19-13)11-18-10-12(2)17-9-15(18)16(3,4)5/h7-8,12,15,17H,6,9-11H2,1-5H3.
What are the key properties of 2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine?
2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine has a molecular weight of 280.48 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine is sourced from PubChem (CID 64846151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).