1-[4-(5-methylfuran-2-yl)butyl]piperazine

C13H22N2O — CID 116928635

IUPAC1-[4-(5-methylfuran-2-yl)butyl]piperazine
SMILESCc1ccc(CCCCN2CCNCC2)o1
InChIInChI=1S/C13H22N2O/c1-12-5-6-13(16-12)4-2-3-9-15-10-7-14-8-11-15/h5-6,14H,2-4,7-11H2,1H3
InChIKeyVXNKPEAGPNNKIZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.82
Rot. Bonds5

About 1-[4-(5-methylfuran-2-yl)butyl]piperazine

1-[4-(5-methylfuran-2-yl)butyl]piperazine (PubChem CID 116928635) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[4-(5-methylfuran-2-yl)butyl]piperazine.

Molecular Properties

Compound Name1-[4-(5-methylfuran-2-yl)butyl]piperazine
PubChem CID116928635
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[4-(5-methylfuran-2-yl)butyl]piperazine
SMILESCc1ccc(CCCCN2CCNCC2)o1
InChIInChI=1S/C13H22N2O/c1-12-5-6-13(16-12)4-2-3-9-15-10-7-14-8-11-15/h5-6,14H,2-4,7-11H2,1H3
InChIKeyVXNKPEAGPNNKIZ-UHFFFAOYSA-N
XLogP1.82
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methylfuran-2-yl)butyl]piperazine?
The IUPAC name of 1-[4-(5-methylfuran-2-yl)butyl]piperazine (CID 116928635) is 1-[4-(5-methylfuran-2-yl)butyl]piperazine.
What is the SMILES notation for 1-[4-(5-methylfuran-2-yl)butyl]piperazine?
The canonical SMILES for 1-[4-(5-methylfuran-2-yl)butyl]piperazine is Cc1ccc(CCCCN2CCNCC2)o1.
What is the InChIKey of 1-[4-(5-methylfuran-2-yl)butyl]piperazine?
The InChIKey is VXNKPEAGPNNKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-12-5-6-13(16-12)4-2-3-9-15-10-7-14-8-11-15/h5-6,14H,2-4,7-11H2,1H3.
What are the key properties of 1-[4-(5-methylfuran-2-yl)butyl]piperazine?
1-[4-(5-methylfuran-2-yl)butyl]piperazine has a molecular weight of 222.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methylfuran-2-yl)butyl]piperazine is sourced from PubChem (CID 116928635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).