1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylbut-3-enyl)piperazine

C29H32F2N2O — CID 24825326

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylbut-3-enyl)piperazine
SMILESC=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C29H32F2N2O/c1-23(24-5-3-2-4-6-24)15-16-32-17-19-33(20-18-32)21-22-34-29(25-7-11-27(30)12-8-25)26-9-13-28(31)14-10-26/h2-14,29H,1,15-22H2
InChIKeyUKFMBLJGGNWPFD-UHFFFAOYSA-N
MW462.58 g/mol
LogP5.79
Rot. Bonds10

About 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylbut-3-enyl)piperazine

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylbut-3-enyl)piperazine (PubChem CID 24825326) has the molecular formula C29H32F2N2O and a molecular weight of 462.58 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylbut-3-enyl)piperazine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylbut-3-enyl)piperazine
PubChem CID24825326
Molecular FormulaC29H32F2N2O
Molecular Weight462.58 g/mol
Exact Mass462.25
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylbut-3-enyl)piperazine
SMILESC=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C29H32F2N2O/c1-23(24-5-3-2-4-6-24)15-16-32-17-19-33(20-18-32)21-22-34-29(25-7-11-27(30)12-8-25)26-9-13-28(31)14-10-26/h2-14,29H,1,15-22H2
InChIKeyUKFMBLJGGNWPFD-UHFFFAOYSA-N
XLogP5.79
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.58
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylbut-3-enyl)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-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylbut-3-enyl)piperazine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylbut-3-enyl)piperazine (CID 24825326) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylbut-3-enyl)piperazine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylbut-3-enyl)piperazine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylbut-3-enyl)piperazine is C=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylbut-3-enyl)piperazine?
The InChIKey is UKFMBLJGGNWPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N2O/c1-23(24-5-3-2-4-6-24)15-16-32-17-19-33(20-18-32)21-22-34-29(25-7-11-27(30)12-8-25)26-9-13-28(31)14-10-26/h2-14,29H,1,15-22H2.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylbut-3-enyl)piperazine?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylbut-3-enyl)piperazine has a molecular weight of 462.58 g/mol, XLogP of 5.79, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylbut-3-enyl)piperazine is sourced from PubChem (CID 24825326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).