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

C29H34F2N2O2 — CID 24825322

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methoxy-3-phenylpropyl]piperazine
SMILESCO[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C29H34F2N2O2/c1-34-28(21-23-5-3-2-4-6-23)22-33-17-15-32(16-18-33)19-20-35-29(24-7-11-26(30)12-8-24)25-9-13-27(31)14-10-25/h2-14,28-29H,15-22H2,1H3/t28-/m0/s1
InChIKeySPVLIWURVCWIKT-NDEPHWFRSA-N
MW480.60 g/mol
LogP4.95
Rot. Bonds11

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

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methoxy-3-phenylpropyl]piperazine (PubChem CID 24825322) has the molecular formula C29H34F2N2O2 and a molecular weight of 480.60 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methoxy-3-phenylpropyl]piperazine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methoxy-3-phenylpropyl]piperazine
PubChem CID24825322
Molecular FormulaC29H34F2N2O2
Molecular Weight480.60 g/mol
Exact Mass480.26
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methoxy-3-phenylpropyl]piperazine
SMILESCO[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C29H34F2N2O2/c1-34-28(21-23-5-3-2-4-6-23)22-33-17-15-32(16-18-33)19-20-35-29(24-7-11-26(30)12-8-24)25-9-13-27(31)14-10-25/h2-14,28-29H,15-22H2,1H3/t28-/m0/s1
InChIKeySPVLIWURVCWIKT-NDEPHWFRSA-N
XLogP4.95
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.60
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methoxy-3-phenylpropyl]piperazine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methoxy-3-phenylpropyl]piperazine (CID 24825322) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methoxy-3-phenylpropyl]piperazine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methoxy-3-phenylpropyl]piperazine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methoxy-3-phenylpropyl]piperazine is CO[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-methoxy-3-phenylpropyl]piperazine?
The InChIKey is SPVLIWURVCWIKT-NDEPHWFRSA-N. The full InChI is InChI=1S/C29H34F2N2O2/c1-34-28(21-23-5-3-2-4-6-23)22-33-17-15-32(16-18-33)19-20-35-29(24-7-11-26(30)12-8-24)25-9-13-27(31)14-10-25/h2-14,28-29H,15-22H2,1H3/t28-/m0/s1.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methoxy-3-phenylpropyl]piperazine?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2S)-2-methoxy-3-phenylpropyl]piperazine has a molecular weight of 480.60 g/mol, XLogP of 4.95, 11 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-[(2S)-2-methoxy-3-phenylpropyl]piperazine is sourced from PubChem (CID 24825322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).