4-Phenyl-4-[[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethoxy]methyl]piperidine-1-carboxylic acid tert-butyl ester (HCID 10554613)

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCC(COC(CO)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1
InChIKey: XDFVHWJHXIEBJT-UHFFFAOYSA-N
분자식: C27H31F6NO4
평균 분자량: 547.5 g/mol
단동위원소 질량: 547.21572744

이름 및 식별자

우선 이름: 4-Phenyl-4-[[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethoxy]methyl]piperidine-1-carboxylic acid tert-butyl ester
IUPAC: tert-butyl 4-[[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethoxy]methyl]-4-phenylpiperidine-1-carboxylate

이름 및 동의어

SCHEMBL85408094-Phenyl-4-[[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethoxy]methyl]piperidine-1-carboxylic acid tert-butyl ester1-tert-Butoxycarbonyl-4-phenyl-4-((1-(3,5-bis(trifluoromethyl)phenyl)-2-hydroxyethoxy)methyl)piperidine

데이터베이스 식별자

PubChem CID: 10554613
Nikkaji: J1.323.821I

물성

구조 계산 물성

XLogP: 5.8
극성 표면적: 59 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 10
회전 가능 결합 수: 8
무거운 원자 수: 38
형식 전하: 0
복잡도: 745

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