1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-pyridin-3-ylpropyl)piperazine

C27H31F2N3O — CID 10599695

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-pyridin-3-ylpropyl)piperazine
SMILESFc1ccc(C(OCCN2CCN(CCCc3cccnc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H31F2N3O/c28-25-9-5-23(6-10-25)27(24-7-11-26(29)12-8-24)33-20-19-32-17-15-31(16-18-32)14-2-4-22-3-1-13-30-21-22/h1,3,5-13,21,27H,2,4,14-20H2
InChIKeyYSPRAXVSVOUKSE-UHFFFAOYSA-N
MW451.56 g/mol
LogP4.72
Rot. Bonds10

About 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-pyridin-3-ylpropyl)piperazine

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-pyridin-3-ylpropyl)piperazine (PubChem CID 10599695) has the molecular formula C27H31F2N3O and a molecular weight of 451.56 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-pyridin-3-ylpropyl)piperazine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-pyridin-3-ylpropyl)piperazine
PubChem CID10599695
Molecular FormulaC27H31F2N3O
Molecular Weight451.56 g/mol
Exact Mass451.24
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-pyridin-3-ylpropyl)piperazine
SMILESFc1ccc(C(OCCN2CCN(CCCc3cccnc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H31F2N3O/c28-25-9-5-23(6-10-25)27(24-7-11-26(29)12-8-24)33-20-19-32-17-15-31(16-18-32)14-2-4-22-3-1-13-30-21-22/h1,3,5-13,21,27H,2,4,14-20H2
InChIKeyYSPRAXVSVOUKSE-UHFFFAOYSA-N
XLogP4.72
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-pyridin-3-ylpropyl)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-pyridin-3-ylpropyl)piperazine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-pyridin-3-ylpropyl)piperazine (CID 10599695) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-pyridin-3-ylpropyl)piperazine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-pyridin-3-ylpropyl)piperazine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-pyridin-3-ylpropyl)piperazine is Fc1ccc(C(OCCN2CCN(CCCc3cccnc3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-pyridin-3-ylpropyl)piperazine?
The InChIKey is YSPRAXVSVOUKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N3O/c28-25-9-5-23(6-10-25)27(24-7-11-26(29)12-8-24)33-20-19-32-17-15-31(16-18-32)14-2-4-22-3-1-13-30-21-22/h1,3,5-13,21,27H,2,4,14-20H2.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-pyridin-3-ylpropyl)piperazine?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-pyridin-3-ylpropyl)piperazine has a molecular weight of 451.56 g/mol, XLogP of 4.72, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-pyridin-3-ylpropyl)piperazine is sourced from PubChem (CID 10599695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).