2,5,5-triethyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine

C16H28N2S — CID 64860267

IUPAC2,5,5-triethyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
SMILESCCC1(CC)CN(Cc2ccsc2)C(C)(CC)CN1
InChIInChI=1S/C16H28N2S/c1-5-15(4)12-17-16(6-2,7-3)13-18(15)10-14-8-9-19-11-14/h8-9,11,17H,5-7,10,12-13H2,1-4H3
InChIKeyZYUJWTGAYDOTFI-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.88
Rot. Bonds5

About 2,5,5-triethyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine

2,5,5-triethyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine (PubChem CID 64860267) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2,5,5-triethyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2,5,5-triethyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
PubChem CID64860267
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2,5,5-triethyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
SMILESCCC1(CC)CN(Cc2ccsc2)C(C)(CC)CN1
InChIInChI=1S/C16H28N2S/c1-5-15(4)12-17-16(6-2,7-3)13-18(15)10-14-8-9-19-11-14/h8-9,11,17H,5-7,10,12-13H2,1-4H3
InChIKeyZYUJWTGAYDOTFI-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine
CID 64861798
2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64832567
2,5,5-triethyl-2-methyl-1-(2-methylbutyl)piperazine
CID 64861806
1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
CID 64849867
2,5,5-triethyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80696303
2,5,5-triethyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64860265
5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine
CID 64861033
9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane
CID 64878549
1-[(3,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
CID 64849861
2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64860254
5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine
CID 64862066
8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 65489382

Frequently Asked Questions

What is the IUPAC name of 2,5,5-triethyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of 2,5,5-triethyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine (CID 64860267) is 2,5,5-triethyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 2,5,5-triethyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for 2,5,5-triethyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine is CCC1(CC)CN(Cc2ccsc2)C(C)(CC)CN1.
What is the InChIKey of 2,5,5-triethyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine?
The InChIKey is ZYUJWTGAYDOTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-15(4)12-17-16(6-2,7-3)13-18(15)10-14-8-9-19-11-14/h8-9,11,17H,5-7,10,12-13H2,1-4H3.
What are the key properties of 2,5,5-triethyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine?
2,5,5-triethyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine has a molecular weight of 280.48 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triethyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 64860267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).