1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine

C20H21ClN2O — CID 13048632

IUPAC1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccc(Cl)cc2)c2cc3ccccc3o2)CC1
InChIInChI=1S/C20H21ClN2O/c1-22-10-12-23(13-11-22)20(15-6-8-17(21)9-7-15)19-14-16-4-2-3-5-18(16)24-19/h2-9,14,20H,10-13H2,1H3
InChIKeyBLEIHYQZEAXAMR-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.42
Rot. Bonds3

About 1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine

1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine (PubChem CID 13048632) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine
PubChem CID13048632
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccc(Cl)cc2)c2cc3ccccc3o2)CC1
InChIInChI=1S/C20H21ClN2O/c1-22-10-12-23(13-11-22)20(15-6-8-17(21)9-7-15)19-14-16-4-2-3-5-18(16)24-19/h2-9,14,20H,10-13H2,1H3
InChIKeyBLEIHYQZEAXAMR-UHFFFAOYSA-N
XLogP4.42
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine
CID 71560868
4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine
CID 13048630
1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride
CID 3065514
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
CID 5393145
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
1-benzhydryl-4-methylpiperazine
CID 6726
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92765182
6-[(R)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-benzodioxol-5-ol
CID 29135959
2-[1-(1-benzofuran-2-yl)ethylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 112801530
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
CID 144798702
1-benzofuran-2-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 114723692

Frequently Asked Questions

What is the IUPAC name of 1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine (CID 13048632) is 1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine is CN1CCN(C(c2ccc(Cl)cc2)c2cc3ccccc3o2)CC1.
What is the InChIKey of 1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine?
The InChIKey is BLEIHYQZEAXAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-22-10-12-23(13-11-22)20(15-6-8-17(21)9-7-15)19-14-16-4-2-3-5-18(16)24-19/h2-9,14,20H,10-13H2,1H3.
What are the key properties of 1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine?
1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine has a molecular weight of 340.85 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 13048632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).