4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-piperidinol

C₁₂H₁₃ClF₃NOCAS 21928-50-7279.69 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Aryl halide Secondary amine

Properties

Molecular formula: C₁₂H₁₃ClF₃NO
Molar mass: 279.69 g/mol
Exact mass: 279.0638 Da
logP: 2.93Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed75% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

21928-50-7

SMILES

OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCNCC1

InChIKey

RALRVIPTUXSBPO-UHFFFAOYSA-N

InChI

InChI=1S/C12H13ClF3NO/c13-10-2-1-8(7-9(10)12(14,15)16)11(18)3-5-17-6-4-11/h1-2,7,17-18H,3-6H2

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

Names and synonyms

8 names

4-Piperidinol, 4-[4-chloro-3-(trifluoromethyl)phenyl]-
4-Piperidinol, 4-(4-chloro-α,α,α-trifluoro-m-tolyl)-
4-(3-Trifluoromethyl-4-chlorophenyl)-4-piperidinol
4-Hydroxy-4-(3-trifluoromethyl-4-chlorophenyl)piperidine
4-(4-Chloro-3-trifluoromethylphenyl)-4-hydroxypiperidine
4-Hydroxy-4-(4-chloro-3-trifluoromethylphenyl)piperidine
4′-(4-Chloro-3-trifluoromethylphenyl)-4′-hydroxypiperidine
4-(4-Chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol

Work with 4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-piperidinol

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

2,4-Bis(trifluoromethyl)chlorobenzene327-76-457 % similar Penfluridol26864-56-253 % similar 4-(4-Chlorophenyl)-4-hydroxypiperidine39512-49-753 % similar 1-[4-Chloro-3-(trifluoromethyl)phenyl]piperazine41213-04-152 % similar 4-(4-Fluorophenyl)piperidin-4-ol3888-65-149 % similar 4-Chloro-3-(trifluoromethyl)benzyl alcohol65735-71-947 % similar 4-Chloro-3-(trifluoromethyl)phenol6294-93-546 % similar 4-(4-Bromophenyl)-4-hydroxypiperidine57988-58-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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