1-(1-benzofuran-7-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride

C20H23ClN2O2 — CID 45261116

IUPAC1-(1-benzofuran-7-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride
SMILESCl.c1ccc(OCCN2CCN(c3cccc4ccoc34)CC2)cc1
InChIInChI=1S/C20H22N2O2.ClH/c1-2-6-18(7-3-1)23-16-14-21-10-12-22(13-11-21)19-8-4-5-17-9-15-24-20(17)19;/h1-9,15H,10-14,16H2;1H
InChIKeyPQACILXYRYDWRT-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.06
Rot. Bonds5

About 1-(1-benzofuran-7-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride

1-(1-benzofuran-7-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride (PubChem CID 45261116) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-(1-benzofuran-7-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(1-benzofuran-7-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride
PubChem CID45261116
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name1-(1-benzofuran-7-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride
SMILESCl.c1ccc(OCCN2CCN(c3cccc4ccoc34)CC2)cc1
InChIInChI=1S/C20H22N2O2.ClH/c1-2-6-18(7-3-1)23-16-14-21-10-12-22(13-11-21)19-8-4-5-17-9-15-24-20(17)19;/h1-9,15H,10-14,16H2;1H
InChIKeyPQACILXYRYDWRT-UHFFFAOYSA-N
XLogP4.06
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-7-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride?
The IUPAC name of 1-(1-benzofuran-7-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride (CID 45261116) is 1-(1-benzofuran-7-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(1-benzofuran-7-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride?
The canonical SMILES for 1-(1-benzofuran-7-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride is Cl.c1ccc(OCCN2CCN(c3cccc4ccoc34)CC2)cc1.
What is the InChIKey of 1-(1-benzofuran-7-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride?
The InChIKey is PQACILXYRYDWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2.ClH/c1-2-6-18(7-3-1)23-16-14-21-10-12-22(13-11-21)19-8-4-5-17-9-15-24-20(17)19;/h1-9,15H,10-14,16H2;1H.
What are the key properties of 1-(1-benzofuran-7-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride?
1-(1-benzofuran-7-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-7-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride is sourced from PubChem (CID 45261116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).