(2S)-2-(5-ethylfuran-2-yl)piperazine;hydrochloride

C10H17ClN2O — CID 171194652

IUPAC(2S)-2-(5-ethylfuran-2-yl)piperazine;hydrochloride
SMILESCCc1ccc([C@@H]2CNCCN2)o1.Cl
InChIInChI=1S/C10H16N2O.ClH/c1-2-8-3-4-10(13-8)9-7-11-5-6-12-9;/h3-4,9,11-12H,2,5-7H2,1H3;1H/t9-;/m0./s1
InChIKeyKDWWFFLEVFMSBH-FVGYRXGTSA-N
MW216.71 g/mol
LogP1.50
Rot. Bonds2

About (2S)-2-(5-ethylfuran-2-yl)piperazine;hydrochloride

(2S)-2-(5-ethylfuran-2-yl)piperazine;hydrochloride (PubChem CID 171194652) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is (2S)-2-(5-ethylfuran-2-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(5-ethylfuran-2-yl)piperazine;hydrochloride
PubChem CID171194652
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name(2S)-2-(5-ethylfuran-2-yl)piperazine;hydrochloride
SMILESCCc1ccc([C@@H]2CNCCN2)o1.Cl
InChIInChI=1S/C10H16N2O.ClH/c1-2-8-3-4-10(13-8)9-7-11-5-6-12-9;/h3-4,9,11-12H,2,5-7H2,1H3;1H/t9-;/m0./s1
InChIKeyKDWWFFLEVFMSBH-FVGYRXGTSA-N
XLogP1.50
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-ethylfuran-2-yl)piperazine;hydrochloride?
The IUPAC name of (2S)-2-(5-ethylfuran-2-yl)piperazine;hydrochloride (CID 171194652) is (2S)-2-(5-ethylfuran-2-yl)piperazine;hydrochloride.
What is the SMILES notation for (2S)-2-(5-ethylfuran-2-yl)piperazine;hydrochloride?
The canonical SMILES for (2S)-2-(5-ethylfuran-2-yl)piperazine;hydrochloride is CCc1ccc([C@@H]2CNCCN2)o1.Cl.
What is the InChIKey of (2S)-2-(5-ethylfuran-2-yl)piperazine;hydrochloride?
The InChIKey is KDWWFFLEVFMSBH-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H16N2O.ClH/c1-2-8-3-4-10(13-8)9-7-11-5-6-12-9;/h3-4,9,11-12H,2,5-7H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (2S)-2-(5-ethylfuran-2-yl)piperazine;hydrochloride?
(2S)-2-(5-ethylfuran-2-yl)piperazine;hydrochloride has a molecular weight of 216.71 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-ethylfuran-2-yl)piperazine;hydrochloride is sourced from PubChem (CID 171194652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).