4-(4-fluorobenzoyl)piperidine hydrochloride

• ChemBase编号: 9590
• 分子式: C12H15ClFNO
• 平均质量: 243.7050032
• 单一同位素质量: 243.08262001
• SMILES: c1c(ccc(c1)C(=O)C1CCNCC1)F.Cl
• Canonical SMILES: O=C(c1ccc(cc1)F)C1CCNCC1.Cl
• InChI: InChI=1S/C12H14FNO.ClH/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10;/h1-4,10,14H,5-8H2;1H
• InChIKey: GPKDBZQZPNOBGM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(4-fluorobenzoyl)piperidine hydrochloride
• IUPAC传统名: 4-(4-fluorobenzoyl)piperidine hydrochloride
• 别名: 4-4-氟苯甲酰哌啶 盐酸盐; 4-(4-Fluorobenzoyl)piperidine hydrochloride; (4-fluorophenyl)-4-piperidinylmethanone Hydrochloride; p-Fluorophenyl 4-piperidylketone Hydrochloride; 4-(p-Fluorobenzoyl)piperidine hydrochloride; 4-Fluorophenyl 4-piperidinyl Ketone Hydrochloride; p-Fluorophenyl 4-Piperidinyl Ketone Hydrochloride; (4-Fluorophenyl)(piperidin-4-yl)methanone hydrochloride; 4-(4-Fluorobenzoyl)piperidine hydrochloride 97%; 4-(4-Fluorobenzoyl)piperidine hydrochloride

登记号

• CAS号: 25519-78-2
• EC号: 247-070-0
• MDL号: MFCD00044912
• PubChem SID: 160972897
• PubChem CID: 3084438

理论计算性质

• Acid pKa: 16.647728
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.4448847
• LogD (pH = 7.4): -0.79010445
• Log P: 1.7771732
• 摩尔折射率: 57.1088 cm^3
• 极化性: 21.88143 Å^3
• 极化表面积: 29.1 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 222-224°C; 224-226°C

安全信息

• 保存注意事项: Hygroscopic; Irritant; IRRITANT, MOISTURE SENSITIVE
• TSCA收录: false; 否

产品相关信息

• 纯度: 98%

详细说明

Toronto Research Chemicals - F588470

A piperidnyl derivative used in the preparation of antiarrhythmics as well as α1-adrenoceptor and S2-receptor antagonists for circulatory diseases.