기본 정보
- CAS
627098-37-7- 표준 SMILES
COC(=O)C1CN(C)CCC1c1ccc(F)cc1- InChIKey
NTYATEQGMUSJQM-UHFFFAOYSA-N- 분자식
- C14H18FNO2
- 평균 분자량
- 251.3 g/mol
- 단동위원소 질량
- 251.13215704
이름 및 식별자
- 우선 이름
- Methyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate
- IUPAC
- methyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate
- 현지명
- 1-메틸-4-(4-플루오로페닐)-피페리딘-3-카르복실산멘틸에스테르
- 영어명
- 1-Methyl-4-(4-fluorophenyl)-piperidine-3-carboxylic acid menthyl ester
- 분자식
- C23H34FNO2
- 분자량
- 375.52
이름 및 동의어
methyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylateDTXSID70430815RefChem:355395DTXCID40381648627098-37-7SCHEMBL4507925NTYATEQGMUSJQM-UHFFFAOYSA-NDB-0542551-methyl-3-carbomethoxy-4-(4-fluorophenyl)-piperidine4-(4-fluorophenyl)-1-methyl-piperidine-3-carboxylic acid methyl ester1-Methyl-4-(4-fluoroA-phenylA-)-piperidine-3-carboxyA-lic acid L-menthyl ester1-메틸-4-(4-플루오로페닐)-피페리딘-3-카르복실산멘틸에스테르
이름 더 보기
4-(4-fluorophenyl)-1-methyl-3-piperidinecarboxylic acid methyl ester1-Methyl-4-(4-fluorophenyl)-piperidine-3-carboxylic acid methyl ester1-Methyl-4-(4-fluorophenyl)-piperidine-3-carboxylic acid menthyl ester1-Methyl-4-(4-fluoro-phenyl-)-piperidine-3-carboxy-lic acid L-menthyl ester(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate3-Piperidinecarboxylic acid, 4-(4-fluorophenyl)-1-methyl-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 290
물리화학적 성질
- 끓는 점
- 442.81 · 442.810±45.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.079 · 1.079±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 7.599 · 7.599±0.20(predicted)
화학 및 산업
공급사2 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
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