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

C13H19FN2O — CID 78939132

IUPAC(1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
SMILESC[C@H](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/t10-/m0/s1
InChIKeyYRWPQDXIVTXQPO-JTQLQIEISA-N
MW238.31 g/mol
LogP1.63
Rot. Bonds2

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

(1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol (PubChem CID 78939132) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
PubChem CID78939132
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name(1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
SMILESC[C@H](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/t10-/m0/s1
InChIKeyYRWPQDXIVTXQPO-JTQLQIEISA-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

1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 43505896
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 (1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol (CID 78939132) is (1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol is C[C@H](O)c1ccc(N2CCN(C)CC2)c(F)c1.
What is the InChIKey of (1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol?
The InChIKey is YRWPQDXIVTXQPO-JTQLQIEISA-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/t10-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol?
(1S)-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 (1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol is sourced from PubChem (CID 78939132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).