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

C11H18N2O — CID 783032

IUPAC1-methyl-4-[(5-methylfuran-2-yl)methyl]piperazine
SMILESCc1ccc(CN2CCN(C)CC2)o1
InChIInChI=1S/C11H18N2O/c1-10-3-4-11(14-10)9-13-7-5-12(2)6-8-13/h3-4H,5-9H2,1-2H3
InChIKeyJUJADIVIEFWSQK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.34
Rot. Bonds2

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

1-methyl-4-[(5-methylfuran-2-yl)methyl]piperazine (PubChem CID 783032) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-methyl-4-[(5-methylfuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(5-methylfuran-2-yl)methyl]piperazine
PubChem CID783032
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-methyl-4-[(5-methylfuran-2-yl)methyl]piperazine
SMILESCc1ccc(CN2CCN(C)CC2)o1
InChIInChI=1S/C11H18N2O/c1-10-3-4-11(14-10)9-13-7-5-12(2)6-8-13/h3-4H,5-9H2,1-2H3
InChIKeyJUJADIVIEFWSQK-UHFFFAOYSA-N
XLogP1.34
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(5-methylfuran-2-yl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(5-methylfuran-2-yl)methyl]piperazine (CID 783032) is 1-methyl-4-[(5-methylfuran-2-yl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(5-methylfuran-2-yl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(5-methylfuran-2-yl)methyl]piperazine is Cc1ccc(CN2CCN(C)CC2)o1.
What is the InChIKey of 1-methyl-4-[(5-methylfuran-2-yl)methyl]piperazine?
The InChIKey is JUJADIVIEFWSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10-3-4-11(14-10)9-13-7-5-12(2)6-8-13/h3-4H,5-9H2,1-2H3.
What are the key properties of 1-methyl-4-[(5-methylfuran-2-yl)methyl]piperazine?
1-methyl-4-[(5-methylfuran-2-yl)methyl]piperazine has a molecular weight of 194.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(5-methylfuran-2-yl)methyl]piperazine is sourced from PubChem (CID 783032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).