1-anilino-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-2-ol

C28H33F2N3O2 — CID 4913215

IUPAC1-anilino-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-2-ol
SMILESOC(CNc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C28H33F2N3O2/c29-24-10-6-22(7-11-24)28(23-8-12-25(30)13-9-23)35-19-18-32-14-16-33(17-15-32)21-27(34)20-31-26-4-2-1-3-5-26/h1-13,27-28,31,34H,14-21H2
InChIKeyVALNSQLLCBVGNH-UHFFFAOYSA-N
MW481.59 g/mol
LogP4.16
Rot. Bonds11

About 1-anilino-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-2-ol

1-anilino-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-2-ol (PubChem CID 4913215) has the molecular formula C28H33F2N3O2 and a molecular weight of 481.59 g/mol. Its IUPAC name is 1-anilino-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-anilino-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-2-ol
PubChem CID4913215
Molecular FormulaC28H33F2N3O2
Molecular Weight481.59 g/mol
Exact Mass481.25
IUPAC Name1-anilino-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-2-ol
SMILESOC(CNc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C28H33F2N3O2/c29-24-10-6-22(7-11-24)28(23-8-12-25(30)13-9-23)35-19-18-32-14-16-33(17-15-32)21-27(34)20-31-26-4-2-1-3-5-26/h1-13,27-28,31,34H,14-21H2
InChIKeyVALNSQLLCBVGNH-UHFFFAOYSA-N
XLogP4.16
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-anilino-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-2-ol 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-anilino-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-anilino-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-2-ol (CID 4913215) is 1-anilino-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-anilino-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-anilino-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-2-ol is OC(CNc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-anilino-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-2-ol?
The InChIKey is VALNSQLLCBVGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F2N3O2/c29-24-10-6-22(7-11-24)28(23-8-12-25(30)13-9-23)35-19-18-32-14-16-33(17-15-32)21-27(34)20-31-26-4-2-1-3-5-26/h1-13,27-28,31,34H,14-21H2.
What are the key properties of 1-anilino-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-2-ol?
1-anilino-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-2-ol has a molecular weight of 481.59 g/mol, XLogP of 4.16, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 4913215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).