chempirical

(3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol

C13H18FNOCAS 105812-81-5223.29 g/mol

Open in Covalent MOL file
NFHO
AlcoholAryl halideTertiary amine

Properties

Molecular formula
C13H18FNO
Molar mass
223.29 g/mol
Exact mass
223.1372 Da
logP
1.85Crippen estimate
Polar surface area
23.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2
Stereocentres
R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
105812-81-5
SMILES
CN1CC[C@@H](c2ccc(F)cc2)[C@H](CO)C1
InChIKey
CXRHUYYZISIIMT-AAEUAGOBSA-N
InChI
InChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3S,4R)-
  • 3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3S-trans)-
  • (-)-trans-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
  • Paroxol
  • (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
  • (-)-trans-4-(4′-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
  • [(3S,4R)-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl]methanol
  • trans-(4R,3S)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
  • (-)-Paroxol
  • trans-Paroxol
  • ((3S,4R)-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl)methanol

Work with (3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Rel-(3R,4S)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol109887-53-8

Similar compounds

N-Methylparoxetine110429-36-255 % similar N-[(4-Fluorophenyl)methyl]-1-methyl-4-piperidinamine359878-47-043 % similar 1-[Bis(4-fluorophenyl)methyl]piperazine27469-60-936 % similar 1-Methyl-4-piperidinemethanol20691-89-835 % similar 4-(4-Fluorophenyl)piperidine37656-48-735 % similar 1-Methyl-3-piperidinemethanol7583-53-135 % similar (R)-1-(4-Fluorophenyl)ethanol101219-68-533 % similar (-)-1-(4-Fluorophenyl)ethanol101219-73-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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