1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol

C13H19FN2O — CID 43505896

IUPAC1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
SMILESCC(O)c1ccc(N2CCN(C)CC2)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-10(17)11-3-4-13(12(14)9-11)16-7-5-15(2)6-8-16/h3-4,9-10,17H,5-8H2,1-2H3
InChIKeyYRWPQDXIVTXQPO-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.63
Rot. Bonds2

About 1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol

1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol (PubChem CID 43505896) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
PubChem CID43505896
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
SMILESCC(O)c1ccc(N2CCN(C)CC2)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-10(17)11-3-4-13(12(14)9-11)16-7-5-15(2)6-8-16/h3-4,9-10,17H,5-8H2,1-2H3
InChIKeyYRWPQDXIVTXQPO-UHFFFAOYSA-N
XLogP1.63
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939132
1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol
CID 43506027
(1S)-1-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939151
2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 117382128
1-[1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836510
(1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol
CID 78941148
(1R)-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941064
(1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol
CID 79010590
3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]butanal
CID 117415586
1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol
CID 79188918
(1R)-1-[3-fluoro-4-(4-methylazepan-1-yl)phenyl]ethanol
CID 78946729
(1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol
CID 78941130

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol (CID 43505896) is 1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol is CC(O)c1ccc(N2CCN(C)CC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol?
The InChIKey is YRWPQDXIVTXQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10(17)11-3-4-13(12(14)9-11)16-7-5-15(2)6-8-16/h3-4,9-10,17H,5-8H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol?
1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol has a molecular weight of 238.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol is sourced from PubChem (CID 43505896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).