1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol

C20H24F2N2O4S — CID 55346214

IUPAC1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(CC(O)COCc2ccccc2F)CC1
InChIInChI=1S/C20H24F2N2O4S/c21-17-5-3-6-19(12-17)29(26,27)24-10-8-23(9-11-24)13-18(25)15-28-14-16-4-1-2-7-20(16)22/h1-7,12,18,25H,8-11,13-15H2
InChIKeyWIFJPHACDZCNGV-UHFFFAOYSA-N
MW426.49 g/mol
LogP1.85
Rot. Bonds8

About 1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol

1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol (PubChem CID 55346214) has the molecular formula C20H24F2N2O4S and a molecular weight of 426.49 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
PubChem CID55346214
Molecular FormulaC20H24F2N2O4S
Molecular Weight426.49 g/mol
Exact Mass426.14
IUPAC Name1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(CC(O)COCc2ccccc2F)CC1
InChIInChI=1S/C20H24F2N2O4S/c21-17-5-3-6-19(12-17)29(26,27)24-10-8-23(9-11-24)13-18(25)15-28-14-16-4-1-2-7-20(16)22/h1-7,12,18,25H,8-11,13-15H2
InChIKeyWIFJPHACDZCNGV-UHFFFAOYSA-N
XLogP1.85
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol
CID 32973607
(2S)-1-[(2-fluorophenyl)methoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 2314434
(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 97039313
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 95352978
(2S)-1-[(2-fluorophenyl)methoxy]-3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 95352976
(1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248169
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 92752913
(2S)-1-[(2-fluorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1217435
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2998945
1-[(2-fluorophenyl)methoxy]-3-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-2-ol
CID 110913010
[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55572387
(2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 95336881

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol (CID 55346214) is 1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol is O=S(=O)(c1cccc(F)c1)N1CCN(CC(O)COCc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The InChIKey is WIFJPHACDZCNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O4S/c21-17-5-3-6-19(12-17)29(26,27)24-10-8-23(9-11-24)13-18(25)15-28-14-16-4-1-2-7-20(16)22/h1-7,12,18,25H,8-11,13-15H2.
What are the key properties of 1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol has a molecular weight of 426.49 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 55346214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).