(2S)-2-(5-methylfuran-2-yl)piperazine

C9H14N2O — CID 130737880

IUPAC(2S)-2-(5-methylfuran-2-yl)piperazine
SMILESCc1ccc([C@@H]2CNCCN2)o1
InChIInChI=1S/C9H14N2O/c1-7-2-3-9(12-7)8-6-10-4-5-11-8/h2-3,8,10-11H,4-6H2,1H3/t8-/m0/s1
InChIKeyKJTVAWUYLVTDSC-QMMMGPOBSA-N
MW166.22 g/mol
LogP0.82
Rot. Bonds1

About (2S)-2-(5-methylfuran-2-yl)piperazine

(2S)-2-(5-methylfuran-2-yl)piperazine (PubChem CID 130737880) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (2S)-2-(5-methylfuran-2-yl)piperazine.

Molecular Properties

Compound Name(2S)-2-(5-methylfuran-2-yl)piperazine
PubChem CID130737880
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(2S)-2-(5-methylfuran-2-yl)piperazine
SMILESCc1ccc([C@@H]2CNCCN2)o1
InChIInChI=1S/C9H14N2O/c1-7-2-3-9(12-7)8-6-10-4-5-11-8/h2-3,8,10-11H,4-6H2,1H3/t8-/m0/s1
InChIKeyKJTVAWUYLVTDSC-QMMMGPOBSA-N
XLogP0.82
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methylfuran-2-yl)piperazine?
The IUPAC name of (2S)-2-(5-methylfuran-2-yl)piperazine (CID 130737880) is (2S)-2-(5-methylfuran-2-yl)piperazine.
What is the SMILES notation for (2S)-2-(5-methylfuran-2-yl)piperazine?
The canonical SMILES for (2S)-2-(5-methylfuran-2-yl)piperazine is Cc1ccc([C@@H]2CNCCN2)o1.
What is the InChIKey of (2S)-2-(5-methylfuran-2-yl)piperazine?
The InChIKey is KJTVAWUYLVTDSC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-2-3-9(12-7)8-6-10-4-5-11-8/h2-3,8,10-11H,4-6H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-(5-methylfuran-2-yl)piperazine?
(2S)-2-(5-methylfuran-2-yl)piperazine has a molecular weight of 166.22 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methylfuran-2-yl)piperazine is sourced from PubChem (CID 130737880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).