1-(furan-2-yl)-3-methylpiperazine

C9H14N2O — CID 63949565

IUPAC1-(furan-2-yl)-3-methylpiperazine
SMILESCC1CN(c2ccco2)CCN1
InChIInChI=1S/C9H14N2O/c1-8-7-11(5-4-10-8)9-3-2-6-12-9/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyVSKZAOGVZSCOCR-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.08
Rot. Bonds1

About 1-(furan-2-yl)-3-methylpiperazine

1-(furan-2-yl)-3-methylpiperazine (PubChem CID 63949565) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(furan-2-yl)-3-methylpiperazine
PubChem CID63949565
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(furan-2-yl)-3-methylpiperazine
SMILESCC1CN(c2ccco2)CCN1
InChIInChI=1S/C9H14N2O/c1-8-7-11(5-4-10-8)9-3-2-6-12-9/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyVSKZAOGVZSCOCR-UHFFFAOYSA-N
XLogP1.08
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-methylpiperazine?
The IUPAC name of 1-(furan-2-yl)-3-methylpiperazine (CID 63949565) is 1-(furan-2-yl)-3-methylpiperazine.
What is the SMILES notation for 1-(furan-2-yl)-3-methylpiperazine?
The canonical SMILES for 1-(furan-2-yl)-3-methylpiperazine is CC1CN(c2ccco2)CCN1.
What is the InChIKey of 1-(furan-2-yl)-3-methylpiperazine?
The InChIKey is VSKZAOGVZSCOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8-7-11(5-4-10-8)9-3-2-6-12-9/h2-3,6,8,10H,4-5,7H2,1H3.
What are the key properties of 1-(furan-2-yl)-3-methylpiperazine?
1-(furan-2-yl)-3-methylpiperazine has a molecular weight of 166.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-methylpiperazine is sourced from PubChem (CID 63949565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).