1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-ethyl-3-methylpiperazine

C15H26N2O — CID 64951935

IUPAC1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-ethyl-3-methylpiperazine
SMILESCCC1(C)CN(C(C)c2cc(C)oc2C)CCN1
InChIInChI=1S/C15H26N2O/c1-6-15(5)10-17(8-7-16-15)12(3)14-9-11(2)18-13(14)4/h9,12,16H,6-8,10H2,1-5H3
InChIKeySNXDKOKARCVAJM-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.03
Rot. Bonds3

About 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-ethyl-3-methylpiperazine

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-ethyl-3-methylpiperazine (PubChem CID 64951935) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-ethyl-3-methylpiperazine.

Molecular Properties

Compound Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-ethyl-3-methylpiperazine
PubChem CID64951935
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-ethyl-3-methylpiperazine
SMILESCCC1(C)CN(C(C)c2cc(C)oc2C)CCN1
InChIInChI=1S/C15H26N2O/c1-6-15(5)10-17(8-7-16-15)12(3)14-9-11(2)18-13(14)4/h9,12,16H,6-8,10H2,1-5H3
InChIKeySNXDKOKARCVAJM-UHFFFAOYSA-N
XLogP3.03
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-ethyl-3-methylpiperazine?
The IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-ethyl-3-methylpiperazine (CID 64951935) is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-ethyl-3-methylpiperazine.
What is the SMILES notation for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-ethyl-3-methylpiperazine?
The canonical SMILES for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-ethyl-3-methylpiperazine is CCC1(C)CN(C(C)c2cc(C)oc2C)CCN1.
What is the InChIKey of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-ethyl-3-methylpiperazine?
The InChIKey is SNXDKOKARCVAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-15(5)10-17(8-7-16-15)12(3)14-9-11(2)18-13(14)4/h9,12,16H,6-8,10H2,1-5H3.
What are the key properties of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-ethyl-3-methylpiperazine?
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-ethyl-3-methylpiperazine has a molecular weight of 250.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-ethyl-3-methylpiperazine is sourced from PubChem (CID 64951935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).