2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine

C17H30N2S — CID 64849112

IUPAC2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine
SMILESCCc1ccc(CN2CC(CC(C)C)NCC2CC)s1
InChIInChI=1S/C17H30N2S/c1-5-15-10-18-14(9-13(3)4)11-19(15)12-17-8-7-16(6-2)20-17/h7-8,13-15,18H,5-6,9-12H2,1-4H3
InChIKeyVPLOQIQIUROLTR-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.91
Rot. Bonds6

About 2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine

2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine (PubChem CID 64849112) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine
PubChem CID64849112
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine
SMILESCCc1ccc(CN2CC(CC(C)C)NCC2CC)s1
InChIInChI=1S/C17H30N2S/c1-5-15-10-18-14(9-13(3)4)11-19(15)12-17-8-7-16(6-2)20-17/h7-8,13-15,18H,5-6,9-12H2,1-4H3
InChIKeyVPLOQIQIUROLTR-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine 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

2-ethyl-1-[(4-ethylphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64849498
1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine
CID 64849116
2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64848535
3-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 64946354
2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64840265
4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 64939479
4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine
CID 64946749
2-ethyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64849307
2-ethyl-1-(2-ethylbutyl)-5-(2-methylpropyl)piperazine
CID 82925413
1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64941869
2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine
CID 64849303
2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64941278

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine?
The IUPAC name of 2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine (CID 64849112) is 2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine?
The canonical SMILES for 2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine is CCc1ccc(CN2CC(CC(C)C)NCC2CC)s1.
What is the InChIKey of 2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine?
The InChIKey is VPLOQIQIUROLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-5-15-10-18-14(9-13(3)4)11-19(15)12-17-8-7-16(6-2)20-17/h7-8,13-15,18H,5-6,9-12H2,1-4H3.
What are the key properties of 2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine?
2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine has a molecular weight of 294.51 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64849112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).