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

C20H23ClN2O — CID 45261095

IUPAC1-(1-benzofuran-7-yl)-4-(2-phenylethyl)piperazine;hydrochloride
SMILESCl.c1ccc(CCN2CCN(c3cccc4ccoc34)CC2)cc1
InChIInChI=1S/C20H22N2O.ClH/c1-2-5-17(6-3-1)9-11-21-12-14-22(15-13-21)19-8-4-7-18-10-16-23-20(18)19;/h1-8,10,16H,9,11-15H2;1H
InChIKeyBKSGVSIDWGSQNE-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.22
Rot. Bonds4

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

1-(1-benzofuran-7-yl)-4-(2-phenylethyl)piperazine;hydrochloride (PubChem CID 45261095) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 1-(1-benzofuran-7-yl)-4-(2-phenylethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(1-benzofuran-7-yl)-4-(2-phenylethyl)piperazine;hydrochloride
PubChem CID45261095
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name1-(1-benzofuran-7-yl)-4-(2-phenylethyl)piperazine;hydrochloride
SMILESCl.c1ccc(CCN2CCN(c3cccc4ccoc34)CC2)cc1
InChIInChI=1S/C20H22N2O.ClH/c1-2-5-17(6-3-1)9-11-21-12-14-22(15-13-21)19-8-4-7-18-10-16-23-20(18)19;/h1-8,10,16H,9,11-15H2;1H
InChIKeyBKSGVSIDWGSQNE-UHFFFAOYSA-N
XLogP4.22
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.22
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-(2-phenylethyl)piperazine;hydrochloride?
The IUPAC name of 1-(1-benzofuran-7-yl)-4-(2-phenylethyl)piperazine;hydrochloride (CID 45261095) is 1-(1-benzofuran-7-yl)-4-(2-phenylethyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(1-benzofuran-7-yl)-4-(2-phenylethyl)piperazine;hydrochloride?
The canonical SMILES for 1-(1-benzofuran-7-yl)-4-(2-phenylethyl)piperazine;hydrochloride is Cl.c1ccc(CCN2CCN(c3cccc4ccoc34)CC2)cc1.
What is the InChIKey of 1-(1-benzofuran-7-yl)-4-(2-phenylethyl)piperazine;hydrochloride?
The InChIKey is BKSGVSIDWGSQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O.ClH/c1-2-5-17(6-3-1)9-11-21-12-14-22(15-13-21)19-8-4-7-18-10-16-23-20(18)19;/h1-8,10,16H,9,11-15H2;1H.
What are the key properties of 1-(1-benzofuran-7-yl)-4-(2-phenylethyl)piperazine;hydrochloride?
1-(1-benzofuran-7-yl)-4-(2-phenylethyl)piperazine;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 4.22, 4 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-(2-phenylethyl)piperazine;hydrochloride is sourced from PubChem (CID 45261095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).