기본 정보
- CAS
1060376-43-3- 표준 SMILES
CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2ccc(C#CCCO)cc2)CC1- InChIKey
WRWVESJPUWDXBS-UHFFFAOYSA-N- 분자식
- C27H30F3NO3
- 평균 분자량
- 473.5 g/mol
- 단동위원소 질량
- 473.21777831
이름 및 식별자
- 우선 이름
- Soporidine
- IUPAC
- ethyl 1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate
- 영어명
- 4-Piperidinecarboxylic acid, 1-[[4-(4-hydroxy-1-butyn-1-yl)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-, ethyl ester
- 분자식
- C27H30F3NO3
- 분자량
- 473.53
이름 및 동의어
Soporidine1060376-43-3ethyl 1-{[4-(4-hydroxybut-1-yn-1-yl)phenyl]methyl}-4-{[3-(trifluoromethyl)phenyl]methyl}piperidine-4-carboxylate1-[4-(4-Hydroxy-but-1-ynyl)-benzyl]-4-(3-trifluoromethyl-benzyl)-piperidine-4-carboxylic acid ethyl esterethyl 1-(4-(4-hydroxybut-1-yn-1-yl)benzyl)-4-(3-(trifluoromethyl)benzyl)piperidine-4-carboxylateethyl 1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylateRG4Soporidine?orb1219146orb1685330SCHEMBL29359995EX-A4955
이름 더 보기
Ethyl 1-((4-(4-hydroxybut-1-yn-1-yl) phenyl) methyl)-4-((3-(trifluoromethyl) phenyl) methyl) piperidine-4-carboxylate4-Piperidinecarboxylic acid, 1-[[4-(4-hydroxy-1-butyn-1-yl)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-, ethyl ester
AKOS040759610AC-36673DA-67696HY-114800CS-0064348T8999F86458Ethyl 1-[[4-(4-hydroxy-1-butyn-1-yl)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylate
데이터베이스 식별자
- CAS
1060376-43-3- PubChem CID
- 42215958
- Nikkaji
- J3.533.949C
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 49.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 710
물리화학적 성질
- 끓는 점
- 537.7 · 537.7±50.0 °C(Predicted)
- 밀도
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.31 · 14.31±0.10(Predicted)
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