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

C20H25FN2O2 — CID 95104704

IUPAC(1S)-1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
SMILESCCOc1ccc([C@H](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/t20-/m1/s1
InChIKeyHFOWGUWAWCYGBG-HXUWFJFHSA-N
MW344.43 g/mol
LogP3.08
Rot. Bonds6

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

(1S)-1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol (PubChem CID 95104704) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is (1S)-1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
PubChem CID95104704
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name(1S)-1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
SMILESCCOc1ccc([C@H](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/t20-/m1/s1
InChIKeyHFOWGUWAWCYGBG-HXUWFJFHSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol?
The IUPAC name of (1S)-1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol (CID 95104704) is (1S)-1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol is CCOc1ccc([C@H](O)CN2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of (1S)-1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol?
The InChIKey is HFOWGUWAWCYGBG-HXUWFJFHSA-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/t20-/m1/s1.
What are the key properties of (1S)-1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol?
(1S)-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 (1S)-1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 95104704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).