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

C24H32N2O2 — CID 46910386

IUPAC1-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine
SMILESCOc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)cc1
InChIInChI=1S/C24H32N2O2/c1-16-17(2)23-21(15-24(4,5)28-23)18(3)22(16)26-13-11-25(12-14-26)19-7-9-20(27-6)10-8-19/h7-10H,11-15H2,1-6H3
InChIKeyBBLZNCBOMKSSDU-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.66
Rot. Bonds3

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

1-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine (PubChem CID 46910386) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine
PubChem CID46910386
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name1-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine
SMILESCOc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)cc1
InChIInChI=1S/C24H32N2O2/c1-16-17(2)23-21(15-24(4,5)28-23)18(3)22(16)26-13-11-25(12-14-26)19-7-9-20(27-6)10-8-19/h7-10H,11-15H2,1-6H3
InChIKeyBBLZNCBOMKSSDU-UHFFFAOYSA-N
XLogP4.66
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.66
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-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine (CID 46910386) is 1-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine is COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
The InChIKey is BBLZNCBOMKSSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-16-17(2)23-21(15-24(4,5)28-23)18(3)22(16)26-13-11-25(12-14-26)19-7-9-20(27-6)10-8-19/h7-10H,11-15H2,1-6H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
1-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine has a molecular weight of 380.53 g/mol, XLogP of 4.66, 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-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine is sourced from PubChem (CID 46910386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).