2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol

C13H19FN2O2 — CID 43592205

IUPAC2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc(CO)cc2F)CC1
InChIInChI=1S/C13H19FN2O2/c14-12-9-11(10-18)1-2-13(12)16-5-3-15(4-6-16)7-8-17/h1-2,9,17-18H,3-8,10H2
InChIKeyKVHUBMVQUSCZBQ-UHFFFAOYSA-N
MW254.30 g/mol
LogP0.43
Rot. Bonds4

About 2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol

2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol (PubChem CID 43592205) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol
PubChem CID43592205
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc(CO)cc2F)CC1
InChIInChI=1S/C13H19FN2O2/c14-12-9-11(10-18)1-2-13(12)16-5-3-15(4-6-16)7-8-17/h1-2,9,17-18H,3-8,10H2
InChIKeyKVHUBMVQUSCZBQ-UHFFFAOYSA-N
XLogP0.43
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol
CID 28945751
[3-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]methanol
CID 62966483
3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarbothioamide
CID 43657971
[1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol
CID 43133225
[4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol
CID 62369446
2-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanol
CID 19837148
3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253607
3-fluoro-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzenecarbothioamide
CID 107223116
[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol
CID 43121061
[4-[[4-(4-bromo-2-fluorophenyl)piperazin-1-yl]methyl]-2-fluorophenyl]methanol
CID 166679156
[1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol
CID 112626287
4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazine-2,6-dione
CID 66084158

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol (CID 43592205) is 2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol is OCCN1CCN(c2ccc(CO)cc2F)CC1.
What is the InChIKey of 2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol?
The InChIKey is KVHUBMVQUSCZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c14-12-9-11(10-18)1-2-13(12)16-5-3-15(4-6-16)7-8-17/h1-2,9,17-18H,3-8,10H2.
What are the key properties of 2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol?
2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol has a molecular weight of 254.30 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 43592205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).