(+/-)-cis-1-[3,5-Bis (trifluoromethyl)benzoyl]-4-[4-(cyanomethyl)-1-piperazinyl]-2-(phenylmethyl)piperidine
기본 정보
- 표준 SMILES
N#CCN1CCN([C@H]2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](Cc3ccccc3)C2)CC1- InChIKey
RMLUUFZTFGFNAF-ZEQRLZLVSA-N- 분자식
- C27H28F6N4O
- 평균 분자량
- 538.5 g/mol
이름 및 식별자
- 우선 이름
- (+/-)-cis-1-[3,5-Bis (trifluoromethyl)benzoyl]-4-[4-(cyanomethyl)-1-piperazinyl]-2-(phenylmethyl)piperidine
- IUPAC
- 2-[4-[(2S,4S)-2-benzyl-1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]piperazin-1-yl]acetonitrile
이름 및 동의어
(+/-)-cis-1-[3,5-bis (trifluoromethyl)benzoyl]-4-[4-(cyanomethyl)-1-piperazinyl]-2-(phenylmethyl)piperidine(+/-)-cis-1-[3,5-bis(trifluoromethyl)benzoyl]-4-[4-(cyanomethyl)-1-piperazinyl]-2-(phenylmethyl)piperidine(+/-)-cis-1-[3,5-bis-(trifluoromethyl)benzoyl]-4-[4-(cyanomethyl)-1-piperazinyl]-2-(phenylmethyl)-piperidine(+/-)-cis-1-[3,5-bis-(trifluoromethyl)benzoyl]-4-[4-(cyanomethyl)-1-piperazinyl]-2-(phenylmethyl)piperidine
데이터베이스 식별자
- PubChem CID
- 86619154
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 50.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 819
관련 반응
3건
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