chempirical

Rel-(3R,4S)-4-(4-fluorophenyl)-1-methyl-3-piperidinemethanol

C13H18FNOCAS 109887-53-8223.29 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
Melting point
122.5–122.9 °C
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

Identifiers

CAS number
109887-53-8
SMILES
CN1CC[C@@H](c2ccc(F)cc2)[C@H](CO)C1
InChIKey
CXRHUYYZISIIMT-BJBPJPDTNA-N
InChI
InChI=1/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-/s2

Weigh it out

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

Names and synonyms

12 names
  • 3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3R,4S)-rel-
  • 3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, trans-(±)-
  • trans-4-(p-Fluorophenyl)-1-methyl-3-piperidinecarbinol
  • 3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, trans-
  • (±)-trans-4-(4-Fluorophenyl)-3-(hydroxymethyl)-1-methylpiperidine
  • trans-4-(4-Fluorophenyl)-3-hydroxymethyl-N-methylpiperidine
  • (±)-trans-4-(p-Fluorophenyl)-3-(hydroxymethyl)-1-methylpiperidine
  • trans-N-Methyl-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine
  • trans-4-(4-Fluorophenyl)-3-(hydroxymethyl)-1-methylpiperidine
  • (±)-trans-4-(4′-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
  • trans-3-Hydroxymethyl-4-(4-fluorophenyl)-N-methylpiperidine
  • (±)-Paroxol

Work with Rel-(3R,4S)-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

Similar compounds

N-Methylparoxetine110429-36-255 % similar 1-[Bis(4-fluorophenyl)methyl]piperazine27469-60-936 % similar 1-Methyl-3-piperidinemethanol7583-53-135 % similar (-)-1-(4-Fluorophenyl)ethanol101219-73-233 % similar 1-(4-Fluorophenyl)ethanol403-41-833 % similar 2-(4-Fluorophenyl)pyrrolidine72216-06-933 % similar Bis(4-fluorophenyl)methanol365-24-233 % similar 1-Methyl-3-phenylpiperidine19509-11-632 % similar

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

Same formula

(3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol105812-81-5

Elsewhere

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