1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine

C20H22N2O2 — CID 24736162

IUPAC1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine
SMILESCOc1ccccc1-c1ccc2oc(CN3CCNCC3)cc2c1
InChIInChI=1S/C20H22N2O2/c1-23-20-5-3-2-4-18(20)15-6-7-19-16(12-15)13-17(24-19)14-22-10-8-21-9-11-22/h2-7,12-13,21H,8-11,14H2,1H3
InChIKeyCNJBDRNDQVGSLH-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.51
Rot. Bonds4

About 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine

1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine (PubChem CID 24736162) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine
PubChem CID24736162
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine
SMILESCOc1ccccc1-c1ccc2oc(CN3CCNCC3)cc2c1
InChIInChI=1S/C20H22N2O2/c1-23-20-5-3-2-4-18(20)15-6-7-19-16(12-15)13-17(24-19)14-22-10-8-21-9-11-22/h2-7,12-13,21H,8-11,14H2,1H3
InChIKeyCNJBDRNDQVGSLH-UHFFFAOYSA-N
XLogP3.51
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone
CID 24736139
1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
CID 24736156
cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 24737245
4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride
CID 24736160
ethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate
CID 24736149
1-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane
CID 24737233
1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine
CID 24736268
2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 46344229
1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine
CID 24736116
1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 24736188
1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine
CID 91111204
1-[(4-methoxyphenyl)methyl]-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine;hydrochloride
CID 24736258

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine?
The IUPAC name of 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine (CID 24736162) is 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine.
What is the SMILES notation for 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine?
The canonical SMILES for 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine is COc1ccccc1-c1ccc2oc(CN3CCNCC3)cc2c1.
What is the InChIKey of 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine?
The InChIKey is CNJBDRNDQVGSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-23-20-5-3-2-4-18(20)15-6-7-19-16(12-15)13-17(24-19)14-22-10-8-21-9-11-22/h2-7,12-13,21H,8-11,14H2,1H3.
What are the key properties of 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine?
1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine has a molecular weight of 322.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine is sourced from PubChem (CID 24736162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).