1-(4-methoxyphenyl)-4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine

C22H28N2O2 — CID 59485093

IUPAC1-(4-methoxyphenyl)-4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine
SMILESCOc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CCO4)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-15-16(2)22-20(9-14-26-22)17(3)21(15)24-12-10-23(11-13-24)18-5-7-19(25-4)8-6-18/h5-8H,9-14H2,1-4H3
InChIKeySGVXZAXLODQFMK-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.88
Rot. Bonds3

About 1-(4-methoxyphenyl)-4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine

1-(4-methoxyphenyl)-4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine (PubChem CID 59485093) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine
PubChem CID59485093
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-(4-methoxyphenyl)-4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine
SMILESCOc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CCO4)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-15-16(2)22-20(9-14-26-22)17(3)21(15)24-12-10-23(11-13-24)18-5-7-19(25-4)8-6-18/h5-8H,9-14H2,1-4H3
InChIKeySGVXZAXLODQFMK-UHFFFAOYSA-N
XLogP3.88
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine (CID 59485093) is 1-(4-methoxyphenyl)-4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine is COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CCO4)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine?
The InChIKey is SGVXZAXLODQFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15-16(2)22-20(9-14-26-22)17(3)21(15)24-12-10-23(11-13-24)18-5-7-19(25-4)8-6-18/h5-8H,9-14H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine?
1-(4-methoxyphenyl)-4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine has a molecular weight of 352.48 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine is sourced from PubChem (CID 59485093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).