(2S)-1-(2,2-diphenylethoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol

C27H31FN2O2 — CID 51696312

IUPAC(2S)-1-(2,2-diphenylethoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESO[C@H](COCC(c1ccccc1)c1ccccc1)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H31FN2O2/c28-24-11-13-25(14-12-24)30-17-15-29(16-18-30)19-26(31)20-32-21-27(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,26-27,31H,15-21H2/t26-/m0/s1
InChIKeyUSGAJJFXPKSHDJ-SANMLTNESA-N
MW434.56 g/mol
LogP4.16
Rot. Bonds9

About (2S)-1-(2,2-diphenylethoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol

(2S)-1-(2,2-diphenylethoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol (PubChem CID 51696312) has the molecular formula C27H31FN2O2 and a molecular weight of 434.56 g/mol. Its IUPAC name is (2S)-1-(2,2-diphenylethoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2,2-diphenylethoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
PubChem CID51696312
Molecular FormulaC27H31FN2O2
Molecular Weight434.56 g/mol
Exact Mass434.24
IUPAC Name(2S)-1-(2,2-diphenylethoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESO[C@H](COCC(c1ccccc1)c1ccccc1)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H31FN2O2/c28-24-11-13-25(14-12-24)30-17-15-29(16-18-30)19-26(31)20-32-21-27(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,26-27,31H,15-21H2/t26-/m0/s1
InChIKeyUSGAJJFXPKSHDJ-SANMLTNESA-N
XLogP4.16
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2-diphenylethoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-(2,2-diphenylethoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol (CID 51696312) is (2S)-1-(2,2-diphenylethoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(2,2-diphenylethoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(2,2-diphenylethoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol is O[C@H](COCC(c1ccccc1)c1ccccc1)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-1-(2,2-diphenylethoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is USGAJJFXPKSHDJ-SANMLTNESA-N. The full InChI is InChI=1S/C27H31FN2O2/c28-24-11-13-25(14-12-24)30-17-15-29(16-18-30)19-26(31)20-32-21-27(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,26-27,31H,15-21H2/t26-/m0/s1.
What are the key properties of (2S)-1-(2,2-diphenylethoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
(2S)-1-(2,2-diphenylethoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 434.56 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2-diphenylethoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 51696312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).