1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol

C13H18FNO2 — CID 43506027

IUPAC1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol
SMILESCC(O)c1ccc(N2CCC(O)CC2)c(F)c1
InChIInChI=1S/C13H18FNO2/c1-9(16)10-2-3-13(12(14)8-10)15-6-4-11(17)5-7-15/h2-3,8-9,11,16-17H,4-7H2,1H3
InChIKeyMRQGCFCAQNLDNG-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.84
Rot. Bonds2

About 1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol

1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol (PubChem CID 43506027) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol
PubChem CID43506027
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol
SMILESCC(O)c1ccc(N2CCC(O)CC2)c(F)c1
InChIInChI=1S/C13H18FNO2/c1-9(16)10-2-3-13(12(14)8-10)15-6-4-11(17)5-7-15/h2-3,8-9,11,16-17H,4-7H2,1H3
InChIKeyMRQGCFCAQNLDNG-UHFFFAOYSA-N
XLogP1.84
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
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-[1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836510
(1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol
CID 79010590
(1R)-1-[3-fluoro-4-(4-methylazepan-1-yl)phenyl]ethanol
CID 78946729
1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 43505896
(1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939132
8-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55237604
1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol
CID 79188918
1-(2,4-difluorophenyl)piperidin-4-ol
CID 10584688
(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
1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol
CID 63370794
(1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol
CID 78941130

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol (CID 43506027) is 1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol is CC(O)c1ccc(N2CCC(O)CC2)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol?
The InChIKey is MRQGCFCAQNLDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(16)10-2-3-13(12(14)8-10)15-6-4-11(17)5-7-15/h2-3,8-9,11,16-17H,4-7H2,1H3.
What are the key properties of 1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol?
1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol has a molecular weight of 239.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 43506027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).