(2R)-2-ethylpiperazine

• ChemBase编号: 168744
• 分子式: C6H14N2
• 平均质量: 114.18876
• 单一同位素质量: 114.11569846
• SMILES: C1NC[C@H](NC1)CC
• Canonical SMILES: CC[C@@H]1CNCCN1
• InChI: InChI=1S/C6H14N2/c1-2-6-5-7-3-4-8-6/h6-8H,2-5H2,1H3/t6-/m1/s1
• InChIKey: DXOHZOPKNFZZAD-ZCFIWIBFSA-N

名称和登记号

名称

• IUPAC标准名: (2R)-2-ethylpiperazine
• IUPAC传统名: (2R)-2-ethylpiperazine
• 别名: (2R)-2-Ethylpiperazine dihydrochloride; (R)-2-Ethylpiperazine Dihydrochloride

登记号

• CAS号: 438050-07-8
• PubChem SID: 162262876
• PubChem CID: 11412361

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -3.2233167
• LogD (pH = 7.4): -2.0540442
• Log P: 0.2102906
• 摩尔折射率: 34.3916 cm^3
• 极化性: 14.118806 Å^3
• 极化表面积: 24.06 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - E925610

A piperazine derivative used in the preparation of compounds for treating disorders associated with the 5-HT2 receptor as well as being a versatile building block for other pharmaceutical compounds.