2-(4-fluorophenyl)-2-piperazin-1-ylethanol

C12H17FN2O — CID 11972041

IUPAC2-(4-fluorophenyl)-2-piperazin-1-ylethanol
SMILESOCC(c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C12H17FN2O/c13-11-3-1-10(2-4-11)12(9-16)15-7-5-14-6-8-15/h1-4,12,14,16H,5-9H2
InChIKeySHOJFVWBAXHOEC-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.76
Rot. Bonds3

About 2-(4-fluorophenyl)-2-piperazin-1-ylethanol

2-(4-fluorophenyl)-2-piperazin-1-ylethanol (PubChem CID 11972041) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-piperazin-1-ylethanol
PubChem CID11972041
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-(4-fluorophenyl)-2-piperazin-1-ylethanol
SMILESOCC(c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C12H17FN2O/c13-11-3-1-10(2-4-11)12(9-16)15-7-5-14-6-8-15/h1-4,12,14,16H,5-9H2
InChIKeySHOJFVWBAXHOEC-UHFFFAOYSA-N
XLogP0.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173429
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
(2S)-2-(3,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171173593
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol
CID 62119944
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399
1-[1-(4-fluorophenyl)-3-methylbutyl]piperazine
CID 82297595
(2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171183683
1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine
CID 171273254
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352
(2R)-2-piperazin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol;hydrochloride
CID 171174552

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-piperazin-1-ylethanol?
The IUPAC name of 2-(4-fluorophenyl)-2-piperazin-1-ylethanol (CID 11972041) is 2-(4-fluorophenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 2-(4-fluorophenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for 2-(4-fluorophenyl)-2-piperazin-1-ylethanol is OCC(c1ccc(F)cc1)N1CCNCC1.
What is the InChIKey of 2-(4-fluorophenyl)-2-piperazin-1-ylethanol?
The InChIKey is SHOJFVWBAXHOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-11-3-1-10(2-4-11)12(9-16)15-7-5-14-6-8-15/h1-4,12,14,16H,5-9H2.
What are the key properties of 2-(4-fluorophenyl)-2-piperazin-1-ylethanol?
2-(4-fluorophenyl)-2-piperazin-1-ylethanol has a molecular weight of 224.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 11972041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).