2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine

C16H28N2S — CID 64842563

IUPAC2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine
SMILESCCc1ccc(CN2CC(CC)NCC2(C)CC)s1
InChIInChI=1S/C16H28N2S/c1-5-13-10-18(16(4,7-3)12-17-13)11-15-9-8-14(6-2)19-15/h8-9,13,17H,5-7,10-12H2,1-4H3
InChIKeyMYORKWPKBTVZNZ-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.66
Rot. Bonds5

About 2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine

2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine (PubChem CID 64842563) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine
PubChem CID64842563
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine
SMILESCCc1ccc(CN2CC(CC)NCC2(C)CC)s1
InChIInChI=1S/C16H28N2S/c1-5-13-10-18(16(4,7-3)12-17-13)11-15-9-8-14(6-2)19-15/h8-9,13,17H,5-7,10-12H2,1-4H3
InChIKeyMYORKWPKBTVZNZ-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-2,5-diethyl-2-methylpiperazine
CID 64841591
1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 64841778
1-[(3,4-difluorophenyl)methyl]-2,5-diethyl-2-methylpiperazine
CID 82925269
1-[(5-bromothiophen-2-yl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 64840423
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-diethyl-2-methylpiperazine
CID 64843141
1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-2-methylpiperazine
CID 64843336
2,5-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine
CID 64843335
2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64840265
2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64838813
2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine
CID 64840168
1-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-diethyl-2-methylpiperazine
CID 116524497
5-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644884

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine?
The IUPAC name of 2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine (CID 64842563) is 2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine.
What is the SMILES notation for 2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine?
The canonical SMILES for 2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine is CCc1ccc(CN2CC(CC)NCC2(C)CC)s1.
What is the InChIKey of 2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine?
The InChIKey is MYORKWPKBTVZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-13-10-18(16(4,7-3)12-17-13)11-15-9-8-14(6-2)19-15/h8-9,13,17H,5-7,10-12H2,1-4H3.
What are the key properties of 2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine?
2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine has a molecular weight of 280.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine is sourced from PubChem (CID 64842563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).