1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methyl-3-phenylpropyl]piperazine

C29H34F2N2O — CID 24825318

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methyl-3-phenylpropyl]piperazine
SMILESC[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C29H34F2N2O/c1-23(21-24-5-3-2-4-6-24)22-33-17-15-32(16-18-33)19-20-34-29(25-7-11-27(30)12-8-25)26-9-13-28(31)14-10-26/h2-14,23,29H,15-22H2,1H3/t23-/m0/s1
InChIKeyQUOVWZCNMCSUEF-QHCPKHFHSA-N
MW464.60 g/mol
LogP5.57
Rot. Bonds10

About 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methyl-3-phenylpropyl]piperazine

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methyl-3-phenylpropyl]piperazine (PubChem CID 24825318) has the molecular formula C29H34F2N2O and a molecular weight of 464.60 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methyl-3-phenylpropyl]piperazine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methyl-3-phenylpropyl]piperazine
PubChem CID24825318
Molecular FormulaC29H34F2N2O
Molecular Weight464.60 g/mol
Exact Mass464.26
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methyl-3-phenylpropyl]piperazine
SMILESC[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C29H34F2N2O/c1-23(21-24-5-3-2-4-6-24)22-33-17-15-32(16-18-33)19-20-34-29(25-7-11-27(30)12-8-25)26-9-13-28(31)14-10-26/h2-14,23,29H,15-22H2,1H3/t23-/m0/s1
InChIKeyQUOVWZCNMCSUEF-QHCPKHFHSA-N
XLogP5.57
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.60
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methyl-3-phenylpropyl]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-[(2S)-2-methyl-3-phenylpropyl]piperazine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methyl-3-phenylpropyl]piperazine (CID 24825318) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methyl-3-phenylpropyl]piperazine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methyl-3-phenylpropyl]piperazine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methyl-3-phenylpropyl]piperazine is C[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methyl-3-phenylpropyl]piperazine?
The InChIKey is QUOVWZCNMCSUEF-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H34F2N2O/c1-23(21-24-5-3-2-4-6-24)22-33-17-15-32(16-18-33)19-20-34-29(25-7-11-27(30)12-8-25)26-9-13-28(31)14-10-26/h2-14,23,29H,15-22H2,1H3/t23-/m0/s1.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methyl-3-phenylpropyl]piperazine?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methyl-3-phenylpropyl]piperazine has a molecular weight of 464.60 g/mol, XLogP of 5.57, 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-[(2S)-2-methyl-3-phenylpropyl]piperazine is sourced from PubChem (CID 24825318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).