(-)-trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methylpiperidine

C₁₃H₁₈FNOCAS 105812-81-5223.29 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Tertiary 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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: R, Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H318 Causes serious eye damageSerious eye damage/eye irritation
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 603-147-00-4), via PubChem.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, P501

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

12 names

(3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol
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 (-)-trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methylpiperidine

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 ((3R,4S)-4-(3-Fluorophenyl)pyrrolidin-3-yl)methanol915390-10-237 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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