4-phenylpiperidin-4-ol

• ChemBase编号: 89075
• 分子式: C11H15NO
• 平均质量: 177.2429
• 单一同位素质量: 177.11536411
• SMILES: OC1(c2ccccc2)CCNCC1
• Canonical SMILES: OC1(CCNCC1)c1ccccc1
• InChI: InChI=1S/C11H15NO/c13-11(6-8-12-9-7-11)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
• InChIKey: KQKFQBTWXOGINC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-phenylpiperidin-4-ol
• IUPAC传统名: 4-phenylpiperidin-4-ol
• 别名: 4-苯基-4-羟基哌啶; 4-苯基-4-羟基哌啶; 4-羟基-4-苯基哌啶; 4-Phenylpiperidin-4-ol; 4-Hydroxy-4-phenylpiperidine; 4-Phenyl-4-piperidinol; 4-Phenyl-4-piperidinol; 4-Hydroxy-4-phenylpiperidine

登记号

• CAS号: 40807-61-2
• EC号: 255-089-0
• MDL号: MFCD00006000
• Beilstein号: 141577
• PubChem SID: 162075961; 24895678; 24879964
• PubChem CID: 96387

理论计算性质

• Acid pKa: 14.000117
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -2.381969
• LogD (pH = 7.4): -1.2046516
• Log P: 0.77342296
• 摩尔折射率: 52.9199 cm^3
• 极化性: 20.96048 Å^3
• 极化表面积: 32.26 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 157-161 °C; 157-161 °C(lit.); 157-161°C

安全信息

• 保存注意事项: Irritant
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98.0% (HPLC); 99%
• 级别: purum
• Empirical Formula (Hill Notation): C11H15NO

详细说明

Sigma Aldrich - H52201

包装
1, 5 g in glass bottle
Application
Reactant for synthesis of:
• Diaminotriazine hNav1.7 inhibitors1
• Selective σ-ligands2
• Glycogen synthase kinase-3β-inhibitors3
• Diphenylbutylpiperidines as cell autophagy inducers4
• Malonyl-coA decarboxylase inhibitors with antiobesity and antidiabetic activities5
• Selective dopamine D2 receptor antagonists6

Sigma Aldrich - 56170

Application
Reactant for synthesis of:
• Diaminotriazine hNav1.7 inhibitors1
• Selective σ-ligands2
• Glycogen synthase kinase-3β-inhibitors3
• Diphenylbutylpiperidines as cell autophagy inducers4
• Malonyl-coA decarboxylase inhibitors with antiobesity and antidiabetic activities5
• Selective dopamine D2 receptor antagonists6