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

C24H31FN2O — CID 59485033

IUPAC1-(4-fluoro-3-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine
SMILESCc1cc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)ccc1F
InChIInChI=1S/C24H31FN2O/c1-15-13-19(7-8-21(15)25)26-9-11-27(12-10-26)22-16(2)17(3)23-20(18(22)4)14-24(5,6)28-23/h7-8,13H,9-12,14H2,1-6H3
InChIKeyORUWYZHICMEJPH-UHFFFAOYSA-N
MW382.52 g/mol
LogP5.10
Rot. Bonds2

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

1-(4-fluoro-3-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine (PubChem CID 59485033) has the molecular formula C24H31FN2O and a molecular weight of 382.52 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine
PubChem CID59485033
Molecular FormulaC24H31FN2O
Molecular Weight382.52 g/mol
Exact Mass382.24
IUPAC Name1-(4-fluoro-3-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine
SMILESCc1cc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)ccc1F
InChIInChI=1S/C24H31FN2O/c1-15-13-19(7-8-21(15)25)26-9-11-27(12-10-26)22-16(2)17(3)23-20(18(22)4)14-24(5,6)28-23/h7-8,13H,9-12,14H2,1-6H3
InChIKeyORUWYZHICMEJPH-UHFFFAOYSA-N
XLogP5.10
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.52
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine (CID 59485033) is 1-(4-fluoro-3-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine is Cc1cc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
The InChIKey is ORUWYZHICMEJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O/c1-15-13-19(7-8-21(15)25)26-9-11-27(12-10-26)22-16(2)17(3)23-20(18(22)4)14-24(5,6)28-23/h7-8,13H,9-12,14H2,1-6H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
1-(4-fluoro-3-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine has a molecular weight of 382.52 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine is sourced from PubChem (CID 59485033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).