1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,4-tetramethylcyclobutan-1-ol

C26H36N2O3 — CID 54404990

IUPAC1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,4-tetramethylcyclobutan-1-ol
SMILESCOc1ccc(N2CCN(C3C(C)(C)C(O)(c4ccc(OC)cc4)C3(C)C)CC2)cc1
InChIInChI=1S/C26H36N2O3/c1-24(2)23(25(3,4)26(24,29)19-7-11-21(30-5)12-8-19)28-17-15-27(16-18-28)20-9-13-22(31-6)14-10-20/h7-14,23,29H,15-18H2,1-6H3
InChIKeyVQAZCRNMJMZMAX-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.15
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,4-tetramethylcyclobutan-1-ol

1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,4-tetramethylcyclobutan-1-ol (PubChem CID 54404990) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,4-tetramethylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,4-tetramethylcyclobutan-1-ol
PubChem CID54404990
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC Name1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,4-tetramethylcyclobutan-1-ol
SMILESCOc1ccc(N2CCN(C3C(C)(C)C(O)(c4ccc(OC)cc4)C3(C)C)CC2)cc1
InChIInChI=1S/C26H36N2O3/c1-24(2)23(25(3,4)26(24,29)19-7-11-21(30-5)12-8-19)28-17-15-27(16-18-28)20-9-13-22(31-6)14-10-20/h7-14,23,29H,15-18H2,1-6H3
InChIKeyVQAZCRNMJMZMAX-UHFFFAOYSA-N
XLogP4.15
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,4-tetramethylcyclobutan-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,4-tetramethylcyclobutan-1-ol (CID 54404990) is 1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,4-tetramethylcyclobutan-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,4-tetramethylcyclobutan-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,4-tetramethylcyclobutan-1-ol is COc1ccc(N2CCN(C3C(C)(C)C(O)(c4ccc(OC)cc4)C3(C)C)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,4-tetramethylcyclobutan-1-ol?
The InChIKey is VQAZCRNMJMZMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-24(2)23(25(3,4)26(24,29)19-7-11-21(30-5)12-8-19)28-17-15-27(16-18-28)20-9-13-22(31-6)14-10-20/h7-14,23,29H,15-18H2,1-6H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,4-tetramethylcyclobutan-1-ol?
1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,4-tetramethylcyclobutan-1-ol has a molecular weight of 424.59 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,4-tetramethylcyclobutan-1-ol is sourced from PubChem (CID 54404990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).