基本情報
- CAS
80842-07-5- 標準SMILES
C[NH+]1CCCC(COC(=O)COc2ccc(Cl)cc2)C1.[Cl-]- InChIKey
JHJOZTMFSDMYCE-UHFFFAOYSA-N- 分子式
- C15H21Cl2NO3
- 平均分子量
- 334.2 g/mol
- 単同位体質量
- 333.0898489
概要
used in treatment of obesity; structure given in first source
名称と識別子
- 優先名称
- Acetic acid, 2-(4-chlorophenoxy)-, (1-methyl-3-piperidinyl)methyl ester, hydrochloride (1:1)
- IUPAC
- (1-methylpiperidin-1-ium-3-yl)methyl 2-(4-chlorophenoxy)acetate chloride
名称と別名
PM 17080842-08-6Acetic acid, (4-chlorophenoxy)-, (1-methyl-3-piperidinyl)methyl ester, hydrochlorideRefChem:914966279-575-7Acetic acid, 2-(4-chlorophenoxy)-, (1-methyl-3-piperidinyl)methyl ester, hydrochloride (1:1)(1-Methyl-3-piperidinyl)methyl (4-chlorophenoxy)acetate hydrochloride80842-07-5EINECS 279-575-7Acetic acid, (4-chlorophenoxy)-, (2S-cis)-3-Hydroxymethyl-N-methylpiperidyl (4-chlorophenoxy)acetate3-Hydroxymethyl-N-methylpiperidine 4-chlorophenoxyacetate hydrochloride
名称をさらに表示
(1-methylpiperidin-1-ium-3-yl)methyl 2-(4-chlorophenoxy)acetate;chloride(p-Chlorophenoxy)acetic acid (1-methyl-3-piperidyl)methyl ester hydrochloride3-Hydroxymethyl-N-methylpiperidine (4-chlorophenoxy)acetate hydrochloride3-Piperidinemethanol, 1-methyl-, (p-chlorophenoxy)acetate, hydrochloride(4-Chlorophenoxy)acetic acid (1-methyl-3-piperidinyl)methyl ester hydrochlorideAcetic acid, (p-chlorophenoxy)-, (1-methyl-3-piperidyl)methyl ester, hydrochlorideChlorhydrate (chloro-4 phenoxyacetate) de N-methyl hydroxymethyl-3 piperidine [French]Chlorhydrate (chloro-4 phenoxyacetate) de N-methyl hydroxymethyl-3 piperidine
データベース識別子
- CAS
物性
構造計算による物性
- 極性表面積
- 40 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 6
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 305
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