1-(1-benzofuran-7-yl)-4-propan-2-ylpiperazine;hydrochloride

C15H21ClN2O — CID 21286423

IUPAC1-(1-benzofuran-7-yl)-4-propan-2-ylpiperazine;hydrochloride
SMILESCC(C)N1CCN(c2cccc3ccoc23)CC1.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-12(2)16-7-9-17(10-8-16)14-5-3-4-13-6-11-18-15(13)14;/h3-6,11-12H,7-10H2,1-2H3;1H
InChIKeyYAXIAAIQBPGNLV-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.38
Rot. Bonds2

About 1-(1-benzofuran-7-yl)-4-propan-2-ylpiperazine;hydrochloride

1-(1-benzofuran-7-yl)-4-propan-2-ylpiperazine;hydrochloride (PubChem CID 21286423) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(1-benzofuran-7-yl)-4-propan-2-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(1-benzofuran-7-yl)-4-propan-2-ylpiperazine;hydrochloride
PubChem CID21286423
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-(1-benzofuran-7-yl)-4-propan-2-ylpiperazine;hydrochloride
SMILESCC(C)N1CCN(c2cccc3ccoc23)CC1.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-12(2)16-7-9-17(10-8-16)14-5-3-4-13-6-11-18-15(13)14;/h3-6,11-12H,7-10H2,1-2H3;1H
InChIKeyYAXIAAIQBPGNLV-UHFFFAOYSA-N
XLogP3.38
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-7-yl)-4-propan-2-ylpiperazine;hydrochloride?
The IUPAC name of 1-(1-benzofuran-7-yl)-4-propan-2-ylpiperazine;hydrochloride (CID 21286423) is 1-(1-benzofuran-7-yl)-4-propan-2-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-(1-benzofuran-7-yl)-4-propan-2-ylpiperazine;hydrochloride?
The canonical SMILES for 1-(1-benzofuran-7-yl)-4-propan-2-ylpiperazine;hydrochloride is CC(C)N1CCN(c2cccc3ccoc23)CC1.Cl.
What is the InChIKey of 1-(1-benzofuran-7-yl)-4-propan-2-ylpiperazine;hydrochloride?
The InChIKey is YAXIAAIQBPGNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.ClH/c1-12(2)16-7-9-17(10-8-16)14-5-3-4-13-6-11-18-15(13)14;/h3-6,11-12H,7-10H2,1-2H3;1H.
What are the key properties of 1-(1-benzofuran-7-yl)-4-propan-2-ylpiperazine;hydrochloride?
1-(1-benzofuran-7-yl)-4-propan-2-ylpiperazine;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-7-yl)-4-propan-2-ylpiperazine;hydrochloride is sourced from PubChem (CID 21286423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).