3-[(3R)-1-propylpiperidin-3-yl]phenol hydrochloride

• ChemBase编号: 132723
• 分子式: C14H22ClNO
• 平均质量: 255.78358
• 单一同位素质量: 255.13899201
• SMILES: CCCN1CCC[C@@H](C1)c1cccc(c1)O.Cl
• Canonical SMILES: CCCN1CCC[C@@H](C1)c1cccc(c1)O.Cl
• InChI: InChI=1S/C14H21NO.ClH/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12;/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3;1H/t13-;/m0./s1
• InChIKey: NRHUDETYKUBQJT-ZOWNYOTGSA-N

名称和登记号

名称

• IUPAC标准名: 3-[(3R)-1-propylpiperidin-3-yl]phenol hydrochloride
• IUPAC传统名: 3-[(3R)-1-propylpiperidin-3-yl]phenol hydrochloride
• 别名: R(+)-3-PPP hydrochloride; R(+)-3-(3-Hydroxyphenyl)-N-propylpiperidine hydrochloride

登记号

• CAS号: 89874-80-6
• MDL号: MFCD00055194
• PubChem SID: 162227000; 24277924
• PubChem CID: 202477

理论计算性质

• 可自由旋转的化学键: 3
• 里宾斯基五规则: true
• Acid pKa: 10.280098
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.2470566
• LogD (pH = 7.4): 1.0989674
• Log P: 2.67092
• 摩尔折射率: 67.9502 cm^3
• 极化性: 26.406725 Å^3
• 极化表面积: 23.47 Å^2

分子性质

理化性质

• 溶解度: ethanol: slightly soluble; H2O: soluble150 mg/mL
• 外观: white solid

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

药理学性质

• 相关基因信息: human ... DRD2(1813)

详细说明

Sigma Aldrich - P102

Preparation Note
Solutions should be freshly prepared.
Legal Information
Sold with the permission of Astra Pharmaceutical Co.
Biochem/physiol Actions
D2 dopamine receptor agonist. Also functions as σ1 receptor antagonist with essentially no affinity for the phencylidine site on the NMDA receptor.