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

C12H17FN2O — CID 11206864

IUPAC3-[4-(2-fluoroethyl)piperazin-1-yl]phenol
SMILESOc1cccc(N2CCN(CCF)CC2)c1
InChIInChI=1S/C12H17FN2O/c13-4-5-14-6-8-15(9-7-14)11-2-1-3-12(16)10-11/h1-3,10,16H,4-9H2
InChIKeyUZPHWIWUSZOTQC-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.48
Rot. Bonds3

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

3-[4-(2-fluoroethyl)piperazin-1-yl]phenol (PubChem CID 11206864) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-[4-(2-fluoroethyl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name3-[4-(2-fluoroethyl)piperazin-1-yl]phenol
PubChem CID11206864
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-[4-(2-fluoroethyl)piperazin-1-yl]phenol
SMILESOc1cccc(N2CCN(CCF)CC2)c1
InChIInChI=1S/C12H17FN2O/c13-4-5-14-6-8-15(9-7-14)11-2-1-3-12(16)10-11/h1-3,10,16H,4-9H2
InChIKeyUZPHWIWUSZOTQC-UHFFFAOYSA-N
XLogP1.48
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-fluoroethyl)piperazin-1-yl]aniline
CID 80694905
3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol
CID 110008096
3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110883491
3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol
CID 110880205
4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 112837389
1-(3-hydroxyphenyl)piperidin-4-ol
CID 59526962
3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol
CID 90656671
3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol
CID 90656670
3-(4,4-diethylpiperazin-4-ium-1-yl)phenol
CID 127039966
3-(4-methylsulfonylpiperazin-1-yl)phenol
CID 640050
3-[4-[3-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)propyl]piperazin-1-yl]phenol
CID 19817099
3-[4-(3-fluorophenyl)piperazin-1-yl]propanoic acid
CID 82119624

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluoroethyl)piperazin-1-yl]phenol?
The IUPAC name of 3-[4-(2-fluoroethyl)piperazin-1-yl]phenol (CID 11206864) is 3-[4-(2-fluoroethyl)piperazin-1-yl]phenol.
What is the SMILES notation for 3-[4-(2-fluoroethyl)piperazin-1-yl]phenol?
The canonical SMILES for 3-[4-(2-fluoroethyl)piperazin-1-yl]phenol is Oc1cccc(N2CCN(CCF)CC2)c1.
What is the InChIKey of 3-[4-(2-fluoroethyl)piperazin-1-yl]phenol?
The InChIKey is UZPHWIWUSZOTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-4-5-14-6-8-15(9-7-14)11-2-1-3-12(16)10-11/h1-3,10,16H,4-9H2.
What are the key properties of 3-[4-(2-fluoroethyl)piperazin-1-yl]phenol?
3-[4-(2-fluoroethyl)piperazin-1-yl]phenol has a molecular weight of 224.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluoroethyl)piperazin-1-yl]phenol is sourced from PubChem (CID 11206864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).