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

C16H28N2O — CID 64948086

IUPAC1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine
SMILESCCC1CN(C(C)c2cc(C)oc2C)C(CC)CN1
InChIInChI=1S/C16H28N2O/c1-6-14-10-18(15(7-2)9-17-14)12(4)16-8-11(3)19-13(16)5/h8,12,14-15,17H,6-7,9-10H2,1-5H3
InChIKeyUFARBATVUZRLBM-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.42
Rot. Bonds4

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

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine (PubChem CID 64948086) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine.

Molecular Properties

Compound Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine
PubChem CID64948086
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine
SMILESCCC1CN(C(C)c2cc(C)oc2C)C(CC)CN1
InChIInChI=1S/C16H28N2O/c1-6-14-10-18(15(7-2)9-17-14)12(4)16-8-11(3)19-13(16)5/h8,12,14-15,17H,6-7,9-10H2,1-5H3
InChIKeyUFARBATVUZRLBM-UHFFFAOYSA-N
XLogP3.42
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol
CID 64977805
1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine
CID 64934081
4-[1-(2,5-diethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79237988
2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
CID 64977794
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-di(propan-2-yl)piperazine
CID 64936619
2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64941276
1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine
CID 64977829
2,5-diethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperazine
CID 64977920
5-[1-[(2R,5S)-2,5-diethylpiperazin-1-yl]ethyl]-2,1-benzothiazole
CID 177310021
3-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzonitrile
CID 64978138
2,5-diethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine
CID 64978125
5-[1-[(2R,5S)-2,5-diethylpiperazin-1-yl]ethyl]-4-fluoro-1,3-benzothiazole
CID 177310039

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine?
The IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine (CID 64948086) is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine.
What is the SMILES notation for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine?
The canonical SMILES for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine is CCC1CN(C(C)c2cc(C)oc2C)C(CC)CN1.
What is the InChIKey of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine?
The InChIKey is UFARBATVUZRLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-14-10-18(15(7-2)9-17-14)12(4)16-8-11(3)19-13(16)5/h8,12,14-15,17H,6-7,9-10H2,1-5H3.
What are the key properties of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine?
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine has a molecular weight of 264.41 g/mol, XLogP of 3.42, 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-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine is sourced from PubChem (CID 64948086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).