1-[bis(4-fluorophenyl)methoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol

C22H28F2N2O3 — CID 4851520

IUPAC1-[bis(4-fluorophenyl)methoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
SMILESOCCN1CCN(CC(O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H28F2N2O3/c23-19-5-1-17(2-6-19)22(18-3-7-20(24)8-4-18)29-16-21(28)15-26-11-9-25(10-12-26)13-14-27/h1-8,21-22,27-28H,9-16H2
InChIKeyYROSPBQXYVDYAU-UHFFFAOYSA-N
MW406.47 g/mol
LogP2.04
Rot. Bonds9

About 1-[bis(4-fluorophenyl)methoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol

1-[bis(4-fluorophenyl)methoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol (PubChem CID 4851520) has the molecular formula C22H28F2N2O3 and a molecular weight of 406.47 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
PubChem CID4851520
Molecular FormulaC22H28F2N2O3
Molecular Weight406.47 g/mol
Exact Mass406.21
IUPAC Name1-[bis(4-fluorophenyl)methoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
SMILESOCCN1CCN(CC(O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H28F2N2O3/c23-19-5-1-17(2-6-19)22(18-3-7-20(24)8-4-18)29-16-21(28)15-26-11-9-25(10-12-26)13-14-27/h1-8,21-22,27-28H,9-16H2
InChIKeyYROSPBQXYVDYAU-UHFFFAOYSA-N
XLogP2.04
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Vanoxerine
CID 3455
Zipeprol
CID 36910
1-(4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazinyl)-3-phenylpropan-2-ol
CID 20443037
Eprozinol
CID 122553
1-(2-(Bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine
CID 5974189
3-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-1-phenyl-propan-1-ol
CID 401916
(2S)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-3-phenylpropan-2-ol
CID 10479666
4-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-2-phenylbutan-2-ol
CID 20443021
Vanoxerine dihydrochloride
CID 104920
4-Morpholineethanol, alpha-((phenylmethoxy)methyl)-
CID 2817987
(1S)-3-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-1-phenylpropan-1-ol
CID 10027543
(1R)-3-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-1-phenylpropan-1-ol
CID 10096087

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[bis(4-fluorophenyl)methoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol (CID 4851520) is 1-[bis(4-fluorophenyl)methoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[bis(4-fluorophenyl)methoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol is OCCN1CCN(CC(O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is YROSPBQXYVDYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2O3/c23-19-5-1-17(2-6-19)22(18-3-7-20(24)8-4-18)29-16-21(28)15-26-11-9-25(10-12-26)13-14-27/h1-8,21-22,27-28H,9-16H2.
What are the key properties of 1-[bis(4-fluorophenyl)methoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol?
1-[bis(4-fluorophenyl)methoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 406.47 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 4851520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).