1-benzyl 3-methyl (3R,6S)-rel-6-methylpiperidine-1,3-dicarboxylate
기본 정보
- CAS
1227917-62-5- 표준 SMILES
COC(=O)[C@@H]1CC[C@H](C)N(C(=O)OCc2ccccc2)C1- InChIKey
IJRRKWFHSQQJIY-GXTWGEPZSA-N- 분자식
- C16H21NO4
- 평균 분자량
- 291.34 g/mol
- 단동위원소 질량
- 291.14705815
이름 및 식별자
- 우선 이름
- 1-benzyl 3-methyl (3R,6S)-rel-6-methylpiperidine-1,3-dicarboxylate
- IUPAC
- 1-O-benzyl 3-O-methyl (3R,6S)-6-methylpiperidine-1,3-dicarboxylate
이름 및 동의어
1227911-34-31-benzyl 3-methyl (3R,6S)-rel-6-methylpiperidine-1,3-dicarboxylateO1-benzyl O3-methyl cis-6-methylpiperidine-1,3-dicarboxylate1227917-62-5MFCD22573919rel-3-Methyl 1-(phenylmethyl) (3R,6S)-6-methyl-1,3-piperidinedicarboxylate1-benzyl 3-methyl (3R,6S)-6-methylpiperidine-1,3-dicarboxylate1-O-benzyl 3-O-methyl (3R,6S)-6-methylpiperidine-1,3-dicarboxylate3-methyl 1-(phenylmethyl) (3R,6S)-6-methyl-1,3-piperidinedicarboxylate1,3-Piperidinedicarboxylic acid, 6-methyl-, 3-methyl 1-(phenylmethyl) ester, (3R,6S)-rel-starbld0018180SCHEMBL14630289
이름 더 보기
IJRRKWFHSQQJIY-GXTWGEPZSA-NDTXSID701153401AS-78941DB-173239CS-0006702O1-benzyl O3-methyl (3R,6S)-6-methylpiperidine-1,3-dicarboxylate
데이터베이스 식별자
- CAS
1227917-62-5- PubChem CID
- 51357692
- DTXSID
DTXSID701153401
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 365
관련 반응
1건
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