(S)-2-[(4-클로로페닐)(4-피페리디닐옥시)메틸]피리딘

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

HCID 10892005

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 201594-84-5
표준 SMILES: Clc1ccc([C@H](OC2CCNCC2)c2ccccn2)cc1
InChIKey: OTZYADIPHOGUDN-KRWDZBQOSA-N
분자식: C17H19ClN2O
평균 분자량: 302.8 g/mol
단동위원소 질량: 302.11859091

이름 및 식별자

우선 이름: 2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine, (S)-
IUPAC: 2-[(S)-(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine
현지명: (S)-2-[(4-클로로페닐)(4-피페리디닐옥시)메틸]피리딘
영어명: (S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine
분자식: C17H19ClN2O
분자량: 302.8

이름 및 동의어

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

이름 더 보기

(S)-2-[(4-클로로페닐)(4-피페리디닐옥시)메틸]피리딘(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3
극성 표면적: 34.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 21
형식 전하: 0
복잡도: 301

물리화학적 성질

끓는 점: 421.7 · 421.7±45.0 °C(Predicted)
밀도: 1.21 · 1.21
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 9.71 · 9.71±0.10(Predicted)
색상: 연한 노란색에서 진한 노란색까지
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

화학적 성질

Yellow to light brown liquid

화학 및 산업

응용 분야 · 1건

용도(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.