(1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol

C13H19FN2O — CID 63371574

IUPAC(1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1N1CCN(C)CC1
InChIInChI=1S/C13H19FN2O/c1-10(17)13-11(14)4-3-5-12(13)16-8-6-15(2)7-9-16/h3-5,10,17H,6-9H2,1-2H3/t10-/m1/s1
InChIKeyJJZHBNKBYRDLHK-SNVBAGLBSA-N
MW238.31 g/mol
LogP1.63
Rot. Bonds2

About (1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol

(1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol (PubChem CID 63371574) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol
PubChem CID63371574
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name(1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1N1CCN(C)CC1
InChIInChI=1S/C13H19FN2O/c1-10(17)13-11(14)4-3-5-12(13)16-8-6-15(2)7-9-16/h3-5,10,17H,6-9H2,1-2H3/t10-/m1/s1
InChIKeyJJZHBNKBYRDLHK-SNVBAGLBSA-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

Analyze (1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
(1R)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 55183727
(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 78939415
(1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol
CID 78939436
(1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol
CID 63371860
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol
CID 78946556
(1R)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol
CID 63371168
(1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol
CID 78940212
1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 61421255
(1R)-1-[2-(2,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol
CID 114087415
ethyl 4-[3-fluoro-2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate
CID 107877235
1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
CID 62943959

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol (CID 63371574) is (1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol is C[C@@H](O)c1c(F)cccc1N1CCN(C)CC1.
What is the InChIKey of (1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol?
The InChIKey is JJZHBNKBYRDLHK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10(17)13-11(14)4-3-5-12(13)16-8-6-15(2)7-9-16/h3-5,10,17H,6-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol?
(1R)-1-[2-fluoro-6-(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 (1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol is sourced from PubChem (CID 63371574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).