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

C15H26N2S — CID 64840265

IUPAC2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
SMILESCCc1ccc(CN2CC(C)(C)NCC2CC)s1
InChIInChI=1S/C15H26N2S/c1-5-12-9-16-15(3,4)11-17(12)10-14-8-7-13(6-2)18-14/h7-8,12,16H,5-6,9-11H2,1-4H3
InChIKeyMVIKMKSCFJHWPN-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.27
Rot. Bonds4

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

2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine (PubChem CID 64840265) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
PubChem CID64840265
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
SMILESCCc1ccc(CN2CC(C)(C)NCC2CC)s1
InChIInChI=1S/C15H26N2S/c1-5-12-9-16-15(3,4)11-17(12)10-14-8-7-13(6-2)18-14/h7-8,12,16H,5-6,9-11H2,1-4H3
InChIKeyMVIKMKSCFJHWPN-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine?
The IUPAC name of 2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine (CID 64840265) is 2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine.
What is the SMILES notation for 2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine?
The canonical SMILES for 2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine is CCc1ccc(CN2CC(C)(C)NCC2CC)s1.
What is the InChIKey of 2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine?
The InChIKey is MVIKMKSCFJHWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-5-12-9-16-15(3,4)11-17(12)10-14-8-7-13(6-2)18-14/h7-8,12,16H,5-6,9-11H2,1-4H3.
What are the key properties of 2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine?
2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine has a molecular weight of 266.45 g/mol, XLogP of 3.27, 4 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]-5,5-dimethylpiperazine is sourced from PubChem (CID 64840265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).