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

C23H29FN2O — CID 59485027

IUPAC1-(4-fluorophenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine
SMILESCc1c(C)c(N2CCN(c3ccc(F)cc3)CC2)c(C)c2c1OC(C)(C)C2
InChIInChI=1S/C23H29FN2O/c1-15-16(2)22-20(14-23(4,5)27-22)17(3)21(15)26-12-10-25(11-13-26)19-8-6-18(24)7-9-19/h6-9H,10-14H2,1-5H3
InChIKeyGPCQZZDQAGCPSD-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.79
Rot. Bonds2

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

1-(4-fluorophenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine (PubChem CID 59485027) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine
PubChem CID59485027
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name1-(4-fluorophenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine
SMILESCc1c(C)c(N2CCN(c3ccc(F)cc3)CC2)c(C)c2c1OC(C)(C)C2
InChIInChI=1S/C23H29FN2O/c1-15-16(2)22-20(14-23(4,5)27-22)17(3)21(15)26-12-10-25(11-13-26)19-8-6-18(24)7-9-19/h6-9H,10-14H2,1-5H3
InChIKeyGPCQZZDQAGCPSD-UHFFFAOYSA-N
XLogP4.79
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-fluorophenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine (CID 59485027) is 1-(4-fluorophenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine is Cc1c(C)c(N2CCN(c3ccc(F)cc3)CC2)c(C)c2c1OC(C)(C)C2.
What is the InChIKey of 1-(4-fluorophenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
The InChIKey is GPCQZZDQAGCPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O/c1-15-16(2)22-20(14-23(4,5)27-22)17(3)21(15)26-12-10-25(11-13-26)19-8-6-18(24)7-9-19/h6-9H,10-14H2,1-5H3.
What are the key properties of 1-(4-fluorophenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
1-(4-fluorophenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine has a molecular weight of 368.50 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine is sourced from PubChem (CID 59485027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).