2-fluoro-4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol

C13H19FN2O2 — CID 156743473

IUPAC2-fluoro-4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
SMILESOCCC1CNCCN1Cc1ccc(O)c(F)c1
InChIInChI=1S/C13H19FN2O2/c14-12-7-10(1-2-13(12)18)9-16-5-4-15-8-11(16)3-6-17/h1-2,7,11,15,17-18H,3-6,8-9H2
InChIKeyASVVYXKUWDIGNV-UHFFFAOYSA-N
MW254.30 g/mol
LogP0.69
Rot. Bonds4

About 2-fluoro-4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol

2-fluoro-4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol (PubChem CID 156743473) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-fluoro-4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
PubChem CID156743473
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-fluoro-4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
SMILESOCCC1CNCCN1Cc1ccc(O)c(F)c1
InChIInChI=1S/C13H19FN2O2/c14-12-7-10(1-2-13(12)18)9-16-5-4-15-8-11(16)3-6-17/h1-2,7,11,15,17-18H,3-6,8-9H2
InChIKeyASVVYXKUWDIGNV-UHFFFAOYSA-N
XLogP0.69
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol (CID 156743473) is 2-fluoro-4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol is OCCC1CNCCN1Cc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol?
The InChIKey is ASVVYXKUWDIGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c14-12-7-10(1-2-13(12)18)9-16-5-4-15-8-11(16)3-6-17/h1-2,7,11,15,17-18H,3-6,8-9H2.
What are the key properties of 2-fluoro-4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol?
2-fluoro-4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol has a molecular weight of 254.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 156743473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).