1-Piperidinecarboxylic acid, 3-[(R)-(3-chlorophenyl)hydroxymethyl]-, 1,1-dimethylethyl ester, (3R)-

HCID 44555022

基本情報

標準SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](O)c2cccc(Cl)c2)C1
InChIKey
ADRSZIQSSXPARX-HIFRSBDPSA-N
分子式
C17H24ClNO3
平均分子量
325.8 g/mol

名称と識別子

優先名称
1-Piperidinecarboxylic acid, 3-[(R)-(3-chlorophenyl)hydroxymethyl]-, 1,1-dimethylethyl ester, (3R)-
IUPAC
tert-butyl (3R)-3-[(R)-(3-chlorophenyl)-hydroxymethyl]piperidine-1-carboxylate

名称と別名

942142-74-7tert-Butyl (R)-3-((R)-(3-chlorophenyl)(hydroxy)methyl)piperidine-1-carboxylate1-Piperidinecarboxylic acid, 3-[(R)-(3-chlorophenyl)hydroxymethyl]-, 1,1-dimethylethyl ester, (3R)-tert-butyl (3R)-3-[(R)-(3-chlorophenyl)-hydroxymethyl]piperidine-1-carboxylateSCHEMBL968955ADRSZIQSSXPARX-HIFRSBDPSA-NCS-B0227MFCD13184688AKOS037649974CS-13992F787735(R)-tert-butyl 3-((R)-(3-chlorophenyl)(hydroxy)methyl)piperidine-1-carboxylate
名称をさらに表示
tert-butyl (3r)-3-[(r)-(3-chlorophenyl)(hydroxy)-methyl]-1-piperidinecarboxylatetert-butyl (3R)-3-[(R)-(3-chlorophenyl)-hydroxy-methyl]piperidine-1-carboxylatetert-Butyl(R)-3-((R)-(3-chlorophenyl)(hydroxy)methyl)piperidine-1-carboxylate1-Piperidinecarboxylic acid,3-[(R)-(3-chlorophenyl)hydroxymethyl]-,1,1-dimethylethyl ester,(3R)-

データベース識別子

PubChem CID
44555022

物性

構造計算による物性

XLogP
3.3
極性表面積
49.8 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
4
重原子数
22

関連反応

18 件

関連ノート

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