[4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone

C20H23FN2O3 — CID 126432795

IUPAC[4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccc(O)c(F)c3)cc2)C[C@H]1CCO
InChIInChI=1S/C20H23FN2O3/c1-22-9-10-23(13-17(22)8-11-24)20(26)15-4-2-14(3-5-15)16-6-7-19(25)18(21)12-16/h2-7,12,17,24-25H,8-11,13H2,1H3/t17-/m1/s1
InChIKeyMUQOHRVKORCPIU-QGZVFWFLSA-N
MW358.41 g/mol
LogP2.34
Rot. Bonds4

About [4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone

[4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone (PubChem CID 126432795) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is [4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
PubChem CID126432795
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name[4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccc(O)c(F)c3)cc2)C[C@H]1CCO
InChIInChI=1S/C20H23FN2O3/c1-22-9-10-23(13-17(22)8-11-24)20(26)15-4-2-14(3-5-15)16-6-7-19(25)18(21)12-16/h2-7,12,17,24-25H,8-11,13H2,1H3/t17-/m1/s1
InChIKeyMUQOHRVKORCPIU-QGZVFWFLSA-N
XLogP2.34
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone with MolForge

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Related Compounds

[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[6-(4-methylsulfanylphenyl)naphthalen-2-yl]methanone
CID 172655751
[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone
CID 118769094
[3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 126428666
[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone
CID 77082052
(4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603575
(3-chloro-4-hydroxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 55218173
[(3S)-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 95895515
[3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 135107435
[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 95860613
[3,5-difluoro-4-(methylamino)phenyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603059
[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[3-(4-fluorophenyl)phenyl]methanone
CID 118779614
(5-hydroxy-1,2-dimethylindol-3-yl)-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 70761632

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
The IUPAC name of [4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone (CID 126432795) is [4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
The canonical SMILES for [4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone is CN1CCN(C(=O)c2ccc(-c3ccc(O)c(F)c3)cc2)C[C@H]1CCO.
What is the InChIKey of [4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
The InChIKey is MUQOHRVKORCPIU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-22-9-10-23(13-17(22)8-11-24)20(26)15-4-2-14(3-5-15)16-6-7-19(25)18(21)12-16/h2-7,12,17,24-25H,8-11,13H2,1H3/t17-/m1/s1.
What are the key properties of [4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
[4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone has a molecular weight of 358.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 126432795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).