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

C20H25FN2O2 — CID 53180184

IUPAC1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
SMILESCCOc1ccc(C(O)CN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C20H25FN2O2/c1-2-25-17-9-7-16(8-10-17)20(24)15-22-11-13-23(14-12-22)19-6-4-3-5-18(19)21/h3-10,20,24H,2,11-15H2,1H3
InChIKeyHFOWGUWAWCYGBG-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.08
Rot. Bonds6

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

1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol (PubChem CID 53180184) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
PubChem CID53180184
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
SMILESCCOc1ccc(C(O)CN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C20H25FN2O2/c1-2-25-17-9-7-16(8-10-17)20(24)15-22-11-13-23(14-12-22)19-6-4-3-5-18(19)21/h3-10,20,24H,2,11-15H2,1H3
InChIKeyHFOWGUWAWCYGBG-UHFFFAOYSA-N
XLogP3.08
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 7036660
(1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 95104653
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 2132816
1-(4-ethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770619
1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 53180192
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-propylphenoxy)propan-2-ol
CID 1039014
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770611
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 113343915
1-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 16800906
2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol
CID 63634863
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-5-yl)ethanol
CID 20866315

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol (CID 53180184) is 1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol is CCOc1ccc(C(O)CN2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol?
The InChIKey is HFOWGUWAWCYGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-2-25-17-9-7-16(8-10-17)20(24)15-22-11-13-23(14-12-22)19-6-4-3-5-18(19)21/h3-10,20,24H,2,11-15H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol?
1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol has a molecular weight of 344.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 53180184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).