(2S)-2-ethyl-1-(5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride

C14H18ClFN2O — CID 23402415

IUPAC(2S)-2-ethyl-1-(5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride
SMILESCC[C@H]1CNCCN1c1cc(F)cc2ccoc12.Cl
InChIInChI=1S/C14H17FN2O.ClH/c1-2-12-9-16-4-5-17(12)13-8-11(15)7-10-3-6-18-14(10)13;/h3,6-8,12,16H,2,4-5,9H2,1H3;1H/t12-;/m0./s1
InChIKeyYHZZQRXXHMQIJO-YDALLXLXSA-N
MW284.76 g/mol
LogP3.18
Rot. Bonds2

About (2S)-2-ethyl-1-(5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride

(2S)-2-ethyl-1-(5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride (PubChem CID 23402415) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is (2S)-2-ethyl-1-(5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-ethyl-1-(5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride
PubChem CID23402415
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name(2S)-2-ethyl-1-(5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride
SMILESCC[C@H]1CNCCN1c1cc(F)cc2ccoc12.Cl
InChIInChI=1S/C14H17FN2O.ClH/c1-2-12-9-16-4-5-17(12)13-8-11(15)7-10-3-6-18-14(10)13;/h3,6-8,12,16H,2,4-5,9H2,1H3;1H/t12-;/m0./s1
InChIKeyYHZZQRXXHMQIJO-YDALLXLXSA-N
XLogP3.18
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-1-(5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride?
The IUPAC name of (2S)-2-ethyl-1-(5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride (CID 23402415) is (2S)-2-ethyl-1-(5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride.
What is the SMILES notation for (2S)-2-ethyl-1-(5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride?
The canonical SMILES for (2S)-2-ethyl-1-(5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride is CC[C@H]1CNCCN1c1cc(F)cc2ccoc12.Cl.
What is the InChIKey of (2S)-2-ethyl-1-(5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride?
The InChIKey is YHZZQRXXHMQIJO-YDALLXLXSA-N. The full InChI is InChI=1S/C14H17FN2O.ClH/c1-2-12-9-16-4-5-17(12)13-8-11(15)7-10-3-6-18-14(10)13;/h3,6-8,12,16H,2,4-5,9H2,1H3;1H/t12-;/m0./s1.
What are the key properties of (2S)-2-ethyl-1-(5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride?
(2S)-2-ethyl-1-(5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride has a molecular weight of 284.76 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-1-(5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride is sourced from PubChem (CID 23402415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).