1-[2-(4-chlorophenyl)-5-methoxy-1-benzofuran-3-yl]-4-methylpiperazine;hydrochloride

C20H22Cl2N2O2 — CID 21144903

IUPAC1-[2-(4-chlorophenyl)-5-methoxy-1-benzofuran-3-yl]-4-methylpiperazine;hydrochloride
SMILESCOc1ccc2oc(-c3ccc(Cl)cc3)c(N3CCN(C)CC3)c2c1.Cl
InChIInChI=1S/C20H21ClN2O2.ClH/c1-22-9-11-23(12-10-22)19-17-13-16(24-2)7-8-18(17)25-20(19)14-3-5-15(21)6-4-14;/h3-8,13H,9-12H2,1-2H3;1H
InChIKeyWEKHTFMDMBQDAV-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.94
Rot. Bonds3

About 1-[2-(4-chlorophenyl)-5-methoxy-1-benzofuran-3-yl]-4-methylpiperazine;hydrochloride

1-[2-(4-chlorophenyl)-5-methoxy-1-benzofuran-3-yl]-4-methylpiperazine;hydrochloride (PubChem CID 21144903) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-5-methoxy-1-benzofuran-3-yl]-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-5-methoxy-1-benzofuran-3-yl]-4-methylpiperazine;hydrochloride
PubChem CID21144903
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name1-[2-(4-chlorophenyl)-5-methoxy-1-benzofuran-3-yl]-4-methylpiperazine;hydrochloride
SMILESCOc1ccc2oc(-c3ccc(Cl)cc3)c(N3CCN(C)CC3)c2c1.Cl
InChIInChI=1S/C20H21ClN2O2.ClH/c1-22-9-11-23(12-10-22)19-17-13-16(24-2)7-8-18(17)25-20(19)14-3-5-15(21)6-4-14;/h3-8,13H,9-12H2,1-2H3;1H
InChIKeyWEKHTFMDMBQDAV-UHFFFAOYSA-N
XLogP4.94
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-5-methoxy-1-benzofuran-3-yl]-4-methylpiperazine;hydrochloride?
The IUPAC name of 1-[2-(4-chlorophenyl)-5-methoxy-1-benzofuran-3-yl]-4-methylpiperazine;hydrochloride (CID 21144903) is 1-[2-(4-chlorophenyl)-5-methoxy-1-benzofuran-3-yl]-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-5-methoxy-1-benzofuran-3-yl]-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[2-(4-chlorophenyl)-5-methoxy-1-benzofuran-3-yl]-4-methylpiperazine;hydrochloride is COc1ccc2oc(-c3ccc(Cl)cc3)c(N3CCN(C)CC3)c2c1.Cl.
What is the InChIKey of 1-[2-(4-chlorophenyl)-5-methoxy-1-benzofuran-3-yl]-4-methylpiperazine;hydrochloride?
The InChIKey is WEKHTFMDMBQDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2.ClH/c1-22-9-11-23(12-10-22)19-17-13-16(24-2)7-8-18(17)25-20(19)14-3-5-15(21)6-4-14;/h3-8,13H,9-12H2,1-2H3;1H.
What are the key properties of 1-[2-(4-chlorophenyl)-5-methoxy-1-benzofuran-3-yl]-4-methylpiperazine;hydrochloride?
1-[2-(4-chlorophenyl)-5-methoxy-1-benzofuran-3-yl]-4-methylpiperazine;hydrochloride has a molecular weight of 393.31 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-5-methoxy-1-benzofuran-3-yl]-4-methylpiperazine;hydrochloride is sourced from PubChem (CID 21144903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).