2-((4-Chlorophenyl)(4-piperidinyloxy)methyl)pyridine

C₁₇H₁₉ClN₂OCAS 122368-54-1302.80 g/mol

Open in Covalent MOL file

Aryl halide Ether Secondary amine

Properties

Molecular formula: C₁₇H₁₉ClN₂O
Molar mass: 302.80 g/mol
Exact mass: 302.1186 Da
logP: 3.59Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

122368-54-1

SMILES

C1CNCCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3

InChIKey

OTZYADIPHOGUDN-UHFFFAOYSA-N

InChI

InChI=1S/C17H19ClN2O/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15/h1-7,10,15,17,19H,8-9,11-12H2

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Names and synonyms

1 names

2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine

Work with 2-((4-Chlorophenyl)(4-piperidinyloxy)methyl)pyridine

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.

(S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine201594-84-5Defined stereoisomer 2-[(S)-(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine (2R,3R)-2,3-dihydroxybutanedioate210095-58-2Salt, defined stereoisomer

Similar compounds

Bepotastine125602-71-356 % similar 4-(Diphenylmethoxy)piperidine58258-01-852 % similar 2-(4,Alpha-dichlorobenzyl)pyridine142404-69-149 % similar (S)-(4-Chlorophenyl)(pyridin-2-yl)methanol176022-47-248 % similar α-(4-Chlorophenyl)-2-pyridinemethanol27652-89-748 % similar Bepotastine besilate190786-44-847 % similar Carbinoxamine maleate3505-38-242 % similar Chlorpheniramine maleate113-92-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(Benzyloxy)tryptamine monohydrochloride52055-23-9 Pyronine92-32-0

Elsewhere

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