3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol

C18H21FN2O2 — CID 110883491

IUPAC3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
SMILESOc1cccc(N2CCN(CC(O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C18H21FN2O2/c19-15-6-4-14(5-7-15)18(23)13-20-8-10-21(11-9-20)16-2-1-3-17(22)12-16/h1-7,12,18,22-23H,8-11,13H2
InChIKeyBYKKOMWXUWWIQB-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.39
Rot. Bonds4

About 3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol

3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol (PubChem CID 110883491) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
PubChem CID110883491
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
SMILESOc1cccc(N2CCN(CC(O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C18H21FN2O2/c19-15-6-4-14(5-7-15)18(23)13-20-8-10-21(11-9-20)16-2-1-3-17(22)12-16/h1-7,12,18,22-23H,8-11,13H2
InChIKeyBYKKOMWXUWWIQB-UHFFFAOYSA-N
XLogP2.39
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol
CID 110880205
1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 3668416
1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol
CID 2767002
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 110910508
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 110883261
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110884687
(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 51588955
3-[4-(2-fluoroethyl)piperazin-1-yl]phenol
CID 11206864
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
1-[4-(dimethylamino)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 71774827
1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 82298497

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol?
The IUPAC name of 3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol (CID 110883491) is 3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol.
What is the SMILES notation for 3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol?
The canonical SMILES for 3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol is Oc1cccc(N2CCN(CC(O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol?
The InChIKey is BYKKOMWXUWWIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-15-6-4-14(5-7-15)18(23)13-20-8-10-21(11-9-20)16-2-1-3-17(22)12-16/h1-7,12,18,22-23H,8-11,13H2.
What are the key properties of 3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol?
3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol has a molecular weight of 316.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol is sourced from PubChem (CID 110883491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).