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

C29H34F2N2O2 — CID 24825332

IUPAC1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol
SMILESCC(O)(Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C29H34F2N2O2/c1-29(34,21-23-5-3-2-4-6-23)22-33-17-15-32(16-18-33)19-20-35-28(24-7-11-26(30)12-8-24)25-9-13-27(31)14-10-25/h2-14,28,34H,15-22H2,1H3
InChIKeyCGOSWAKWGGDJPJ-UHFFFAOYSA-N
MW480.60 g/mol
LogP4.68
Rot. Bonds10

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

1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol (PubChem CID 24825332) has the molecular formula C29H34F2N2O2 and a molecular weight of 480.60 g/mol. Its IUPAC name is 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol
PubChem CID24825332
Molecular FormulaC29H34F2N2O2
Molecular Weight480.60 g/mol
Exact Mass480.26
IUPAC Name1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol
SMILESCC(O)(Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C29H34F2N2O2/c1-29(34,21-23-5-3-2-4-6-23)22-33-17-15-32(16-18-33)19-20-35-28(24-7-11-26(30)12-8-24)25-9-13-27(31)14-10-25/h2-14,28,34H,15-22H2,1H3
InChIKeyCGOSWAKWGGDJPJ-UHFFFAOYSA-N
XLogP4.68
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.60
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol?
The IUPAC name of 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol (CID 24825332) is 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol?
The canonical SMILES for 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol is CC(O)(Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol?
The InChIKey is CGOSWAKWGGDJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2N2O2/c1-29(34,21-23-5-3-2-4-6-23)22-33-17-15-32(16-18-33)19-20-35-28(24-7-11-26(30)12-8-24)25-9-13-27(31)14-10-25/h2-14,28,34H,15-22H2,1H3.
What are the key properties of 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol?
1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol has a molecular weight of 480.60 g/mol, XLogP of 4.68, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol is sourced from PubChem (CID 24825332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).