기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@H]1CO- InChIKey
OKWDDQLIGHSFEA-HNNXBMFYSA-N- 분자식
- C18H26N2O5
- 평균 분자량
- 350.4 g/mol
이름 및 식별자
- 우선 이름
- (S)-4-benzyl 1-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate
- IUPAC
- 4-O-benzyl 1-O-tert-butyl (2S)-2-(hydroxymethyl)piperazine-1,4-dicarboxylate
이름 및 동의어
385802-84-6(S)-4-benzyl 1-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate4-Benzyl 1-(tert-butyl) (S)-2-(hydroxymethyl)piperazine-1,4-dicarboxylate(S)-(1-Boc-4-Cbz-2-piperazinyl)methanol4-Benzyl 1-tert-butyl (2S)-2-(hydroxymethyl)piperazine-1,4-dicarboxylateMFCD17676318(2S)-2-(Hydroxymethyl)piperazine-1(S)-1-Boc-4-Cbz-2-(hydroxymethyl)piperazineSCHEMBL6334954OKWDDQLIGHSFEA-HNNXBMFYSA-N(2S)-2-(hydroxymethyl)piperazine-1,4-dicarboxylic acid 4-benzyl ester 1-tert-butyl esterSY406101
이름 더 보기
DB-328116CS-0137189H51906F618988(2S)-2-(hydroxymethyl)-piperazine-1,4-dicarboxylic acid 4-benzyl ester 1-tert-butyl ester(S)-2-Hydroxymethyl-piperazine-1,4-dicarboxylic acid 4-benzyl ester 1-tert-butyl ester1,4-Piperazinedicarboxylic acid, 2-(hydroxymethyl)-, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester, (2S)-
데이터베이스 식별자
- PubChem CID
- 69745232
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 79.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 457
관련 반응
4건
화합물 노트
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