1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine

C13H22N2O — CID 116931937

IUPAC1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine
SMILESCc1ccc(CC(C)CN2CCNCC2)o1
InChIInChI=1S/C13H22N2O/c1-11(9-13-4-3-12(2)16-13)10-15-7-5-14-6-8-15/h3-4,11,14H,5-10H2,1-2H3
InChIKeyDULGQBJKEYGOCP-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.67
Rot. Bonds4

About 1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine

1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine (PubChem CID 116931937) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine
PubChem CID116931937
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine
SMILESCc1ccc(CC(C)CN2CCNCC2)o1
InChIInChI=1S/C13H22N2O/c1-11(9-13-4-3-12(2)16-13)10-15-7-5-14-6-8-15/h3-4,11,14H,5-10H2,1-2H3
InChIKeyDULGQBJKEYGOCP-UHFFFAOYSA-N
XLogP1.67
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine?
The IUPAC name of 1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine (CID 116931937) is 1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine.
What is the SMILES notation for 1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine?
The canonical SMILES for 1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine is Cc1ccc(CC(C)CN2CCNCC2)o1.
What is the InChIKey of 1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine?
The InChIKey is DULGQBJKEYGOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(9-13-4-3-12(2)16-13)10-15-7-5-14-6-8-15/h3-4,11,14H,5-10H2,1-2H3.
What are the key properties of 1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine?
1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine has a molecular weight of 222.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine is sourced from PubChem (CID 116931937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).