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

C17H30N2S — CID 64839737

IUPAC2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
SMILESCCc1ccc(CN2CC(C)(C)NCC2C(C)(C)C)s1
InChIInChI=1S/C17H30N2S/c1-7-13-8-9-14(20-13)11-19-12-17(5,6)18-10-15(19)16(2,3)4/h8-9,15,18H,7,10-12H2,1-6H3
InChIKeyVKWDVCWKUBNKOE-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.91
Rot. Bonds3

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

2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine (PubChem CID 64839737) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
PubChem CID64839737
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
SMILESCCc1ccc(CN2CC(C)(C)NCC2C(C)(C)C)s1
InChIInChI=1S/C17H30N2S/c1-7-13-8-9-14(20-13)11-19-12-17(5,6)18-10-15(19)16(2,3)4/h8-9,15,18H,7,10-12H2,1-6H3
InChIKeyVKWDVCWKUBNKOE-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64840265
1-benzyl-2-tert-butyl-5,5-dimethylpiperazine
CID 64839732
2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine
CID 64846151
2,5,5-trimethyl-1-[(5-methylthiophen-2-yl)methyl]piperazine
CID 64946588
2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine
CID 64839733
2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64840094
2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64839540
2-tert-butyl-1-[(2-chloro-4-fluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64839722
1-[(4-bromo-2-fluorophenyl)methyl]-2-tert-butyl-5,5-dimethylpiperazine
CID 64839735
1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethyl-1,4-diazepane
CID 64872068
2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64838162
2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine
CID 64839542

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine?
The IUPAC name of 2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine (CID 64839737) is 2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine?
The canonical SMILES for 2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine is CCc1ccc(CN2CC(C)(C)NCC2C(C)(C)C)s1.
What is the InChIKey of 2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine?
The InChIKey is VKWDVCWKUBNKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-7-13-8-9-14(20-13)11-19-12-17(5,6)18-10-15(19)16(2,3)4/h8-9,15,18H,7,10-12H2,1-6H3.
What are the key properties of 2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine?
2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine has a molecular weight of 294.51 g/mol, XLogP of 3.91, 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]-5,5-dimethylpiperazine is sourced from PubChem (CID 64839737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).