1-(furan-2-ylmethyl)piperazine

C9H14N2O — CID 764716

IUPAC1-(furan-2-ylmethyl)piperazine
SMILESc1coc(CN2CCNCC2)c1
InChIInChI=1S/C9H14N2O/c1-2-9(12-7-1)8-11-5-3-10-4-6-11/h1-2,7,10H,3-6,8H2
InChIKeyGQSSZKRUQKGOJB-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.68
Rot. Bonds2

About 1-(furan-2-ylmethyl)piperazine

1-(furan-2-ylmethyl)piperazine (PubChem CID 764716) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)piperazine
PubChem CID764716
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(furan-2-ylmethyl)piperazine
SMILESc1coc(CN2CCNCC2)c1
InChIInChI=1S/C9H14N2O/c1-2-9(12-7-1)8-11-5-3-10-4-6-11/h1-2,7,10H,3-6,8H2
InChIKeyGQSSZKRUQKGOJB-UHFFFAOYSA-N
XLogP0.68
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)piperazine?
The IUPAC name of 1-(furan-2-ylmethyl)piperazine (CID 764716) is 1-(furan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(furan-2-ylmethyl)piperazine?
The canonical SMILES for 1-(furan-2-ylmethyl)piperazine is c1coc(CN2CCNCC2)c1.
What is the InChIKey of 1-(furan-2-ylmethyl)piperazine?
The InChIKey is GQSSZKRUQKGOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-9(12-7-1)8-11-5-3-10-4-6-11/h1-2,7,10H,3-6,8H2.
What are the key properties of 1-(furan-2-ylmethyl)piperazine?
1-(furan-2-ylmethyl)piperazine has a molecular weight of 166.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)piperazine is sourced from PubChem (CID 764716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).