기본 정보
- 표준 SMILES
COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC- InChIKey
HXTGXYRHXAGCFP-UHFFFAOYSA-N- 분자식
- C22H28FNO3
- 평균 분자량
- 373.5 g/mol
- 단동위원소 질량
- 373.20532198
이름 및 식별자
- 우선 이름
- (2,3-Dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
- IUPAC
- (2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
- 영어명
- (+/-)-alpha-(2,3-Dimethoxy-phenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidine-methanol
- 분자식
- C22H28FNO3
- 분자량
- 373.46
이름 및 동의어
139290-69-0MDL 100151(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanolC22H28FNO3alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanolHXTGXYRHXAGCFP-UHFFFAOYSA-N(+/-)-ALPHA-(2,3-DIMETHOXY-PHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINE-METHANOLSCHEMBL340674CHEMBL257283SCHEMBL13701277Volinanserin (MDL100907)?DTXSID40861354
이름 더 보기
rac-MDL100907(2,3-Dimethoxyphenyl)(1-(4-fluorophenethyl)piperidin-4-yl)methanol4-Piperidinemethanol, (2,3-dimethoxyphenyl)-1-[2-(4-fluoropenyl)ethyl]4-Piperidinemethanol, α-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-PiperidineMethanol, a-(2,3-diMethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-Piperidinemethanol, (-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-(-(-(2,3-Dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidine-methanol4-PIPERIDINEMETHANOL, ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-(/-)-ALPHA-(2,3-DIMETHOXY-PHENYL)-1-2-(4-FLUOROPHENYL)ETHYL-4-PIPERIDINE-METHANOL
(2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-4-yl}-methanol(S)-(2,3-dimethoxyphenyl){1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methanolBDBM50232153PDSP1_001496PDSP2_001480(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]-4-piperidyl]methanol(2,3-dimethoxyphenyl){1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methanolPB23201
데이터베이스 식별자
- CAS
139290-69-0- PubChem CID
- 60858
- DTXSID
DTXSID40861354- EC Number
- 604-125-7
- Nikkaji
- J1.194.541D
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 41.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 422
실험 및 물리화학적 성질
LogP3.8
물리화학적 성질
- 끓는 점
- 499.4 · 499.4±45.0 °C(Predicted)
- 밀도
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.93 · 13.93±0.20(Predicted)
화학적 성질
Colourless to yellowish solid
화학 및 산업
공급사11 곳
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