1-(4-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine

C24H32N2O — CID 59485037

IUPAC1-(4-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine
SMILESCc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)cc1
InChIInChI=1S/C24H32N2O/c1-16-7-9-20(10-8-16)25-11-13-26(14-12-25)22-17(2)18(3)23-21(19(22)4)15-24(5,6)27-23/h7-10H,11-15H2,1-6H3
InChIKeyRYIBYVIRLMVBSK-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.96
Rot. Bonds2

About 1-(4-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine

1-(4-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine (PubChem CID 59485037) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine
PubChem CID59485037
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name1-(4-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine
SMILESCc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)cc1
InChIInChI=1S/C24H32N2O/c1-16-7-9-20(10-8-16)25-11-13-26(14-12-25)22-17(2)18(3)23-21(19(22)4)15-24(5,6)27-23/h7-10H,11-15H2,1-6H3
InChIKeyRYIBYVIRLMVBSK-UHFFFAOYSA-N
XLogP4.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
The IUPAC name of 1-(4-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine (CID 59485037) is 1-(4-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine.
What is the SMILES notation for 1-(4-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
The canonical SMILES for 1-(4-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine is Cc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
The InChIKey is RYIBYVIRLMVBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-16-7-9-20(10-8-16)25-11-13-26(14-12-25)22-17(2)18(3)23-21(19(22)4)15-24(5,6)27-23/h7-10H,11-15H2,1-6H3.
What are the key properties of 1-(4-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
1-(4-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine has a molecular weight of 364.53 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine is sourced from PubChem (CID 59485037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).