(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol

C19H23FN2O2 — CID 7036660

IUPAC(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@H](O)CN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H23FN2O2/c1-24-16-8-6-15(7-9-16)19(23)14-21-10-12-22(13-11-21)18-5-3-2-4-17(18)20/h2-9,19,23H,10-14H2,1H3/t19-/m1/s1
InChIKeyHFPXVDOTRRFISI-LJQANCHMSA-N
MW330.40 g/mol
LogP2.69
Rot. Bonds5

About (1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol

(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol (PubChem CID 7036660) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is (1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol
PubChem CID7036660
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@H](O)CN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H23FN2O2/c1-24-16-8-6-15(7-9-16)19(23)14-21-10-12-22(13-11-21)18-5-3-2-4-17(18)20/h2-9,19,23H,10-14H2,1H3/t19-/m1/s1
InChIKeyHFPXVDOTRRFISI-LJQANCHMSA-N
XLogP2.69
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
CID 53180184
(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 2037410
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 2132816
1-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 45006688
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-5-yl)ethanol
CID 20866315
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 60971064
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 110297247
(1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol
CID 95049270
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of (1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol (CID 7036660) is (1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for (1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for (1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol is COc1ccc([C@H](O)CN2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of (1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol?
The InChIKey is HFPXVDOTRRFISI-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-24-16-8-6-15(7-9-16)19(23)14-21-10-12-22(13-11-21)18-5-3-2-4-17(18)20/h2-9,19,23H,10-14H2,1H3/t19-/m1/s1.
What are the key properties of (1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol?
(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol has a molecular weight of 330.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 7036660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).