基本情報
- 標準SMILES
CC(C)(C)OC(=O)NC1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1- InChIKey
JGRVQSYVAOLRKS-UHFFFAOYSA-N- 分子式
- C21H34BN3O4
- 平均分子量
- 403.3 g/mol
名称と識別子
- 優先名称
- tert-Butyl (1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperidin-4-yl)carbamate
- IUPAC
- tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-yl]carbamate
名称と別名
1042917-44-1tert-Butyl (1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperidin-4-yl)carbamateMFCD13195039Carbamic acid, N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-4-piperidinyl]-, 1,1-dimethylethyl estertert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperidin-4-yl]carbamatetert-butyl(1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperidin-4-yl)carbamateSCHEMBL3025640JGRVQSYVAOLRKS-UHFFFAOYSA-N6-[4-(Boc-amino)-1-piperidyl]pyridine-3-boronic Acid Pinacol Ester2-[4-(tert-Butyloxycarbonylamino)-1-piperidinyl]pyridine-5-boronic acid pinacol esterSY326441DB-130537
名称をさらに表示
CS-0175424F86432A1-314072-[4-(Boc-amino)-1-piperidinyl]pyridine-5-boronic acid pinacol ester, 96%tert-butyl 1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperidin-4-ylcarbamatetert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]-4-piperidyl]carbamate
データベース識別子
物性
構造計算による物性
- 極性表面積
- 72.9 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 5
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 569
関連反応
2 件
化合物ノート
読み込み中…