4-Phenyl-4-(1-piperidinyl)cyclohexanol
基本情報
- CAS
60756-83-4- 標準SMILES
OC1CCC(c2ccccc2)(N2CCCCC2)CC1- InChIKey
KPRUAZBLIREHPD-UHFFFAOYSA-N- 分子式
- C17H25NO
- 平均分子量
- 259.4 g/mol
- 単同位体質量
- 259.19361442
概要
Trans-4-Phenyl-4-piperidinocyclohexanol is a member of cyclohexanols.
名称と識別子
- 優先名称
- 4-Phenyl-4-(1-piperidinyl)cyclohexanol
- IUPAC
- 4-phenyl-4-piperidin-1-ylcyclohexan-1-ol
- 英語名
- (trans)-4-PPC
- 分子式
- C17H25NO
- 分子量
- 259.39
名称と別名
4-Phenyl-4-piperidinocyclohexanol60756-83-4TAJ3PEY6RN4-Phenyl-4-(1-piperidinyl)cyclohexanolDTXSID602095771-(1-PHENYL-4-HYDROXYCYCLOHEXYL)PIPERIDINERefChem:100359DTXCID1013206878165-07-8trans-4-Phenyl-4-piperidinocyclohexanol4-phenyl-4-piperidin-1-ylcyclohexan-1-ol(trans)-4-PPC
名称をさらに表示
KPRUAZBLIREHPD-QAQDUYKDSA-Nac trans-4’-Hydroxy Phencyclidinerac trans-4'-Hydroxy Phencyclidine2H5]-trans-4-Phenyl-4-piperidinocyclohexanoltrans-4-Phenyl-4-(1-piperidinyl)cyclohexanoltrans-1-(1-Phenyl-4-hydroxycyclohexyl)piperidinerac trans-4-Phenyl-4-(1-piperidinyl)cyclohexanol
4-PHENYL-4-(PIPERIDIN-1-YL)CYCLOHEXAN-1-OLCyclohexanol, 4-phenyl-4-(1-piperidinyl)-78165-06-7cis-4-Phenyl-4-piperidinocyclohexanolUNII-TAJ3PEY6RNCHEMBL266562CHEMBL273446SCHEMBL1262555
データベース識別子
- CAS
60756-83-4、78165-06-7、78165-07-8- PubChem CID
- 162171
- DTXSID
DTXSID60209577- ChEMBL
CHEMBL266562、CHEMBL273446- ChEBI
CHEBI:183505- UNII
- TAJ3PEY6RN
- Nikkaji
- J1.002.574E、J390.379F、J438.408C
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 23.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 271
物理化学的性質
- 沸点
- 382.5 · 382.5±42.0 °C(Predicted)
- 比重(密度)
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- 溶解性
- 5 mg/ml; · DMF: 5 mg/ml; DMSO: 5 mg/ml; Ethanol: 10 mg/ml; Ethanol:PBS(pH 7.2) (1:1): 0.5 mg/ml
- 外見
- A crystalline solid
- 酸解離定数(Pka)
- 15.1 · 15.10±0.40(Predicted)
化学と産業
薬理情報
Metabolism/MetabolitesC-PPC/t-PPC is a known human metabolite of phencyclidine.
応用分野
説明trans-4-phenyl-4-Piperidinocyclohexanol (Item No. 20565) is an analytical reference standard that is structurally categorized as an arylcyclohexylamine. It is a metabolite of phencyclidine (PCP; ). trans-4-phenyl-4-Piperidinocyclohexanol inhibits dopamine uptake in rat striatal synaptosomes to a similar extent as PCP. This product is intended for research and forensic applications.
使用trans-4-Phenyl-4-(1-piperidinyl)cyclohexanol [(trans)-4-PPC] is the trans-isomer of the 4-hydroxy(cyclo) metabolite of Phencyclidine (P295502). Studies show that (trans)-4-PPC elicits dose-related increases in locomotor activity and rearing in mice, and (trans)-4-PPC may also be involved in psychotomimetic effects of PCP due to its inhibitory effect on DA uptake.
関連反応
3 件
化合物ノート
読み込み中…