5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine

C16H28N2O — CID 64937935

IUPAC5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine
SMILESCCC(C)C1CN(CCc2ccco2)C(CC)CN1
InChIInChI=1S/C16H28N2O/c1-4-13(3)16-12-18(14(5-2)11-17-16)9-8-15-7-6-10-19-15/h6-7,10,13-14,16-17H,4-5,8-9,11-12H2,1-3H3
InChIKeyKRALXVRVZOWQGB-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.92
Rot. Bonds6

About 5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine

5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine (PubChem CID 64937935) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine
PubChem CID64937935
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine
SMILESCCC(C)C1CN(CCc2ccco2)C(CC)CN1
InChIInChI=1S/C16H28N2O/c1-4-13(3)16-12-18(14(5-2)11-17-16)9-8-15-7-6-10-19-15/h6-7,10,13-14,16-17H,4-5,8-9,11-12H2,1-3H3
InChIKeyKRALXVRVZOWQGB-UHFFFAOYSA-N
XLogP2.92
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine?
The IUPAC name of 5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine (CID 64937935) is 5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine?
The canonical SMILES for 5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine is CCC(C)C1CN(CCc2ccco2)C(CC)CN1.
What is the InChIKey of 5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine?
The InChIKey is KRALXVRVZOWQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-13(3)16-12-18(14(5-2)11-17-16)9-8-15-7-6-10-19-15/h6-7,10,13-14,16-17H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine?
5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine has a molecular weight of 264.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine is sourced from PubChem (CID 64937935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).