chempirical

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

C17H19ClN2OCAS 201594-84-5302.80 g/mol

Open in Covalent MOL file
NHOClN
Aryl halideEtherSecondary 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
201594-84-5
SMILES
C1CNCCC1O[C@@H](C2=CC=C(C=C2)Cl)C3=CC=CC=N3
InChIKey
OTZYADIPHOGUDN-KRWDZBQOSA-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/t17-/m0/s1

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Names and synonyms

1 names
  • 2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine, (S)-

Work with (S)-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.

2-((4-Chlorophenyl)(4-piperidinyloxy)methyl)pyridine122368-54-1Stereo not defined 2-[(S)-(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine (2R,3R)-2,3-dihydroxybutanedioate210095-58-2Salt

Similar compounds

Bepotastine125602-71-356 % 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 Dexchlorpheniramine maleate2438-32-640 % 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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