1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine

C17H30N2S — CID 64948573

IUPAC1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(C(C)c2cc(C)sc2C)C(C(C)C)CN1
InChIInChI=1S/C17H30N2S/c1-7-15-10-19(17(9-18-15)11(2)3)13(5)16-8-12(4)20-14(16)6/h8,11,13,15,17-18H,7,9-10H2,1-6H3
InChIKeyFSKLJGKDIKXXNY-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.13
Rot. Bonds4

About 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine

1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine (PubChem CID 64948573) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
PubChem CID64948573
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(C(C)c2cc(C)sc2C)C(C(C)C)CN1
InChIInChI=1S/C17H30N2S/c1-7-15-10-19(17(9-18-15)11(2)3)13(5)16-8-12(4)20-14(16)6/h8,11,13,15,17-18H,7,9-10H2,1-6H3
InChIKeyFSKLJGKDIKXXNY-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-5-propylpiperazine
CID 64948574
9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64948572
5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64946669
2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64948206
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine
CID 64948086
5-ethyl-1-phenyl-2-propan-2-ylpiperazine
CID 64930277
2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64941276
1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 106043817
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64842124
5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine
CID 102908491
4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol
CID 64977805
5-ethyl-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64843674

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine (CID 64948573) is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine is CCC1CN(C(C)c2cc(C)sc2C)C(C(C)C)CN1.
What is the InChIKey of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine?
The InChIKey is FSKLJGKDIKXXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-7-15-10-19(17(9-18-15)11(2)3)13(5)16-8-12(4)20-14(16)6/h8,11,13,15,17-18H,7,9-10H2,1-6H3.
What are the key properties of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine?
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine has a molecular weight of 294.51 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64948573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).