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

C17H28N2O — CID 64946933

IUPAC5-cyclopropyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethylpiperazine
SMILESCc1cc(C(C)N2CC(C)(C3CC3)NCC2C)c(C)o1
InChIInChI=1S/C17H28N2O/c1-11-9-18-17(5,15-6-7-15)10-19(11)13(3)16-8-12(2)20-14(16)4/h8,11,13,15,18H,6-7,9-10H2,1-5H3
InChIKeyVZBAQLZIUGPLST-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.42
Rot. Bonds3

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

5-cyclopropyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethylpiperazine (PubChem CID 64946933) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-cyclopropyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethylpiperazine
PubChem CID64946933
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name5-cyclopropyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethylpiperazine
SMILESCc1cc(C(C)N2CC(C)(C3CC3)NCC2C)c(C)o1
InChIInChI=1S/C17H28N2O/c1-11-9-18-17(5,15-6-7-15)10-19(11)13(3)16-8-12(2)20-14(16)4/h8,11,13,15,18H,6-7,9-10H2,1-5H3
InChIKeyVZBAQLZIUGPLST-UHFFFAOYSA-N
XLogP3.42
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethylpiperazine?
The IUPAC name of 5-cyclopropyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethylpiperazine (CID 64946933) is 5-cyclopropyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethylpiperazine is Cc1cc(C(C)N2CC(C)(C3CC3)NCC2C)c(C)o1.
What is the InChIKey of 5-cyclopropyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethylpiperazine?
The InChIKey is VZBAQLZIUGPLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-11-9-18-17(5,15-6-7-15)10-19(11)13(3)16-8-12(2)20-14(16)4/h8,11,13,15,18H,6-7,9-10H2,1-5H3.
What are the key properties of 5-cyclopropyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethylpiperazine?
5-cyclopropyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethylpiperazine has a molecular weight of 276.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 64946933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).