1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine

C14H24N2S — CID 63863302

IUPAC1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine
SMILESCCc1ccc(C(C)N2CC(C)NC(C)C2)s1
InChIInChI=1S/C14H24N2S/c1-5-13-6-7-14(17-13)12(4)16-8-10(2)15-11(3)9-16/h6-7,10-12,15H,5,8-9H2,1-4H3
InChIKeyFBJANPMHUUCYKS-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.05
Rot. Bonds3

About 1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine

1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine (PubChem CID 63863302) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine
PubChem CID63863302
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine
SMILESCCc1ccc(C(C)N2CC(C)NC(C)C2)s1
InChIInChI=1S/C14H24N2S/c1-5-13-6-7-14(17-13)12(4)16-8-10(2)15-11(3)9-16/h6-7,10-12,15H,5,8-9H2,1-4H3
InChIKeyFBJANPMHUUCYKS-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine (CID 63863302) is 1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine is CCc1ccc(C(C)N2CC(C)NC(C)C2)s1.
What is the InChIKey of 1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine?
The InChIKey is FBJANPMHUUCYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-5-13-6-7-14(17-13)12(4)16-8-10(2)15-11(3)9-16/h6-7,10-12,15H,5,8-9H2,1-4H3.
What are the key properties of 1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine?
1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine has a molecular weight of 252.43 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine is sourced from PubChem (CID 63863302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).