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

HCID 10892005

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Basic information

CAS: 201594-84-5
Standard SMILES: Clc1ccc([C@H](OC2CCNCC2)c2ccccn2)cc1
InChIKey: OTZYADIPHOGUDN-KRWDZBQOSA-N
Molecular formula: C17H19ClN2O
Average molar mass: 302.8 g/mol
Monoisotopic mass: 302.11859091

Names & identifiers

Preferred name: 2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine, (S)-
IUPAC: 2-[(S)-(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine
English name: (S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine
Molecular formula: C17H19ClN2O
Molecular weight: 302.8

Names & synonyms

201594-84-5JT9XJK7X8X2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine, (S)-RefChem:1060529(S)-2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine(S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridinePyridine, 2-[(S)-(4-chlorophenyl)(4-piperidinyloxy)methyl]-MFCD099553592-[(S)-(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine2-[(S)-(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridineSCHEMBL2805296(S)-4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidine

Show more names

(S)-2-((4-ChLBepotastine Impurity 42-[(S)-(4-CHLOROPHENYL)(S)-2-[(4-Chlorophenyl)(4-piperidyloxy)methyl]pyridine(S)-2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridi

(S)-4-[(4-chlorophenyl) (2-pyridyl)methoxy]piperidineOTZYADIPHOGUDN-KRWDZBQOSA-NBCP133762-[(S)-(4-chlorophenyl)-(4-piperidyloxy)methyl]pyridineDTXSID70447428(s)-(-)-4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidineCS-B0348AKOS015901675

Database identifiers

CAS: 201594-84-5
PubChem CID: 10892005
DTXSID: DTXSID70447428
UNII: JT9XJK7X8X
Nikkaji: J1.644.745E

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 34.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 301

Physicochemical properties

Boiling point: 421.7 · 421.7±45.0 °C(Predicted)
Density: 1.21 · 1.21
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
pka: 9.71 · 9.71±0.10(Predicted)
color: Pale Yellow to Dark Yellow
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
InChIKey: OTZYADIPHOGUDN-KRWDZBQOSA-N
SMILES: C1([C@H](C2=CC=C(Cl)C=C2)OC2CCNCC2)=NC=CC=C1

Chemistry & industry

Applications · 1 item

Uses(S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine is used as a reagent to prepare optically active 4-[(4-chlorophenyl-2-pyridyl)methoxy]piperidine, a compound that is used as an intermediate in the synthesis of antihistamines and antiallergy agents. (S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine is also an intermediate of Bepotastine besylate (B317000), a non-sedating H1-antagonist that has anti-inflammatory activity.